smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874934 783021624 /nfs/dbraw/zinc/02/16/24/783021624.db2.gz ZSRSSGUEQKHPGK-HUUCEWRRSA-N 2 2 318.465 2.338 20 30 DEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872647 776740400 /nfs/dbraw/zinc/74/04/00/776740400.db2.gz NXUPQSQAZARXAT-UHFFFAOYSA-N 2 2 304.438 2.092 20 30 DEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503217 777090290 /nfs/dbraw/zinc/09/02/90/777090290.db2.gz FDLKIBBIZBIEDW-WMZOPIPTSA-N 2 2 316.449 2.068 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777583 778173517 /nfs/dbraw/zinc/17/35/17/778173517.db2.gz QXDUGWWHKTZANX-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777583 778173520 /nfs/dbraw/zinc/17/35/20/778173520.db2.gz QXDUGWWHKTZANX-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168045437 779629557 /nfs/dbraw/zinc/62/95/57/779629557.db2.gz JSQLOUVOFSBHOT-UKBAYJJMSA-N 2 2 312.461 2.225 20 30 DEEDLP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045437 779629562 /nfs/dbraw/zinc/62/95/62/779629562.db2.gz JSQLOUVOFSBHOT-UKBAYJJMSA-N 2 2 312.461 2.225 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183587 779762087 /nfs/dbraw/zinc/76/20/87/779762087.db2.gz NEMGQXIBQCFIMH-CVEARBPZSA-N 2 2 316.449 2.007 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183587 779762094 /nfs/dbraw/zinc/76/20/94/779762094.db2.gz NEMGQXIBQCFIMH-CVEARBPZSA-N 2 2 316.449 2.007 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001088329714 779966517 /nfs/dbraw/zinc/96/65/17/779966517.db2.gz FSIGSSCJXIIIHN-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001088329714 779966526 /nfs/dbraw/zinc/96/65/26/779966526.db2.gz FSIGSSCJXIIIHN-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001088391798 780064077 /nfs/dbraw/zinc/06/40/77/780064077.db2.gz UGBWPJRTRYOPDR-HOTGVXAUSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001088396029 780066994 /nfs/dbraw/zinc/06/69/94/780066994.db2.gz WLKMPCPAZMWFQL-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001088396029 780067003 /nfs/dbraw/zinc/06/70/03/780067003.db2.gz WLKMPCPAZMWFQL-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617483 783530871 /nfs/dbraw/zinc/53/08/71/783530871.db2.gz PZNLJBLTJOLEQF-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617483 783530877 /nfs/dbraw/zinc/53/08/77/783530877.db2.gz PZNLJBLTJOLEQF-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966100839 783561920 /nfs/dbraw/zinc/56/19/20/783561920.db2.gz HOTKZVMIRNASDG-WMLDXEAASA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966100839 783561923 /nfs/dbraw/zinc/56/19/23/783561923.db2.gz HOTKZVMIRNASDG-WMLDXEAASA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966488466 783671919 /nfs/dbraw/zinc/67/19/19/783671919.db2.gz HQQLGGKZVJAEGZ-DZGCQCFKSA-N 2 2 321.490 2.436 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966488466 783671924 /nfs/dbraw/zinc/67/19/24/783671924.db2.gz HQQLGGKZVJAEGZ-DZGCQCFKSA-N 2 2 321.490 2.436 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903273 783807288 /nfs/dbraw/zinc/80/72/88/783807288.db2.gz DEFNWIXPNDHCGP-GOEBONIOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903273 783807293 /nfs/dbraw/zinc/80/72/93/783807293.db2.gz DEFNWIXPNDHCGP-GOEBONIOSA-N 2 2 318.465 2.329 20 30 DEEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085918448 784213170 /nfs/dbraw/zinc/21/31/70/784213170.db2.gz DFGWTBLWVOBFNY-QZTJIDSGSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918448 784213175 /nfs/dbraw/zinc/21/31/75/784213175.db2.gz DFGWTBLWVOBFNY-QZTJIDSGSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918448 784213179 /nfs/dbraw/zinc/21/31/79/784213179.db2.gz DFGWTBLWVOBFNY-QZTJIDSGSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918448 784213181 /nfs/dbraw/zinc/21/31/81/784213181.db2.gz DFGWTBLWVOBFNY-QZTJIDSGSA-N 2 2 319.493 2.197 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086160054 784453860 /nfs/dbraw/zinc/45/38/60/784453860.db2.gz VFLROZHVPUCZTA-FZNQNYSPSA-N 2 2 310.401 2.156 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901522 784642817 /nfs/dbraw/zinc/64/28/17/784642817.db2.gz ANAFUQFRQDAYJD-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901522 784642824 /nfs/dbraw/zinc/64/28/24/784642824.db2.gz ANAFUQFRQDAYJD-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901522 784642829 /nfs/dbraw/zinc/64/28/29/784642829.db2.gz ANAFUQFRQDAYJD-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901522 784642835 /nfs/dbraw/zinc/64/28/35/784642835.db2.gz ANAFUQFRQDAYJD-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007598270 784959091 /nfs/dbraw/zinc/95/90/91/784959091.db2.gz VEJQMESTIOADEF-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007598270 784959097 /nfs/dbraw/zinc/95/90/97/784959097.db2.gz VEJQMESTIOADEF-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108807476 785551806 /nfs/dbraw/zinc/55/18/06/785551806.db2.gz GBJFZTCDMOXOAM-JYJNAYRXSA-N 2 2 316.449 2.196 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384926 785839850 /nfs/dbraw/zinc/83/98/50/785839850.db2.gz SYHKOXFIBDSZAL-PMPSAXMXSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384926 785839858 /nfs/dbraw/zinc/83/98/58/785839858.db2.gz SYHKOXFIBDSZAL-PMPSAXMXSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109384926 785839869 /nfs/dbraw/zinc/83/98/69/785839869.db2.gz SYHKOXFIBDSZAL-PMPSAXMXSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109384926 785839875 /nfs/dbraw/zinc/83/98/75/785839875.db2.gz SYHKOXFIBDSZAL-PMPSAXMXSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109579996 785939650 /nfs/dbraw/zinc/93/96/50/785939650.db2.gz CMLKYXQLEOIZLJ-NCOADZHNSA-N 2 2 316.449 2.349 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109579996 785939655 /nfs/dbraw/zinc/93/96/55/785939655.db2.gz CMLKYXQLEOIZLJ-NCOADZHNSA-N 2 2 316.449 2.349 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521257 788117329 /nfs/dbraw/zinc/11/73/29/788117329.db2.gz AKNXIQAQYZRDPN-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132521257 788117331 /nfs/dbraw/zinc/11/73/31/788117331.db2.gz AKNXIQAQYZRDPN-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521257 788117334 /nfs/dbraw/zinc/11/73/34/788117334.db2.gz AKNXIQAQYZRDPN-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521257 788117336 /nfs/dbraw/zinc/11/73/36/788117336.db2.gz AKNXIQAQYZRDPN-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781744 788190756 /nfs/dbraw/zinc/19/07/56/788190756.db2.gz FOADRZHCYZYVSK-TZMCWYRMSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732841 789065081 /nfs/dbraw/zinc/06/50/81/789065081.db2.gz ONQBDKINBXDWFS-KGLIPLIRSA-N 2 2 305.422 2.082 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086756890 789453161 /nfs/dbraw/zinc/45/31/61/789453161.db2.gz YGYOUCPJRDTBNN-LSDHHAIUSA-N 2 2 312.417 2.399 20 30 DEEDLP N#CCc1ccc[nH+]c1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171282131 791344541 /nfs/dbraw/zinc/34/45/41/791344541.db2.gz BLTAALJZHDMFMX-UHFFFAOYSA-N 2 2 307.401 2.169 20 30 DEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251507 792153657 /nfs/dbraw/zinc/15/36/57/792153657.db2.gz KRQLOMOEEYXKKH-CVEARBPZSA-N 2 2 316.449 2.074 20 30 DEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251507 792153660 /nfs/dbraw/zinc/15/36/60/792153660.db2.gz KRQLOMOEEYXKKH-CVEARBPZSA-N 2 2 316.449 2.074 20 30 DEEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710102 792803567 /nfs/dbraw/zinc/80/35/67/792803567.db2.gz BVOGHUHRLCFNPW-UHFFFAOYSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101213887 793067371 /nfs/dbraw/zinc/06/73/71/793067371.db2.gz CGDWUANXYWIZOO-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101213887 793067387 /nfs/dbraw/zinc/06/73/87/793067387.db2.gz CGDWUANXYWIZOO-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456274 793621495 /nfs/dbraw/zinc/62/14/95/793621495.db2.gz SSPMKQMWFJZMEN-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456274 793621501 /nfs/dbraw/zinc/62/15/01/793621501.db2.gz SSPMKQMWFJZMEN-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456274 793621505 /nfs/dbraw/zinc/62/15/05/793621505.db2.gz SSPMKQMWFJZMEN-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456274 793621510 /nfs/dbraw/zinc/62/15/10/793621510.db2.gz SSPMKQMWFJZMEN-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102611031 793671692 /nfs/dbraw/zinc/67/16/92/793671692.db2.gz ABMDQCXIYWRTEG-UKRRQHHQSA-N 2 2 324.856 2.100 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102611031 793671695 /nfs/dbraw/zinc/67/16/95/793671695.db2.gz ABMDQCXIYWRTEG-UKRRQHHQSA-N 2 2 324.856 2.100 20 30 DEEDLP CC1(C#N)CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC1 ZINC001173590734 793774630 /nfs/dbraw/zinc/77/46/30/793774630.db2.gz MEHUPTYNWIBKTC-YBXZHIRMSA-N 2 2 312.461 2.260 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176774778 794491059 /nfs/dbraw/zinc/49/10/59/794491059.db2.gz IBWDCABOEYTBJM-WBVHZDCISA-N 2 2 318.465 2.135 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885277 794513385 /nfs/dbraw/zinc/51/33/85/794513385.db2.gz IXRFQQNILGRJKJ-RYRKJORJSA-N 2 2 316.449 2.381 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885277 794513390 /nfs/dbraw/zinc/51/33/90/794513390.db2.gz IXRFQQNILGRJKJ-RYRKJORJSA-N 2 2 316.449 2.381 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021419 794546209 /nfs/dbraw/zinc/54/62/09/794546209.db2.gz MSBMGCOSDNZLTO-RYRKJORJSA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021419 794546211 /nfs/dbraw/zinc/54/62/11/794546211.db2.gz MSBMGCOSDNZLTO-RYRKJORJSA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752169 794988201 /nfs/dbraw/zinc/98/82/01/794988201.db2.gz ITLACQAPILSDCT-HUUCEWRRSA-N 2 2 304.438 2.356 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752169 794988205 /nfs/dbraw/zinc/98/82/05/794988205.db2.gz ITLACQAPILSDCT-HUUCEWRRSA-N 2 2 304.438 2.356 20 30 DEEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178774143 795004273 /nfs/dbraw/zinc/00/42/73/795004273.db2.gz NSFHQUILGKHIHJ-KRWDZBQOSA-N 2 2 318.465 2.370 20 30 DEEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001121900472 795701354 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ZINC001158533854 798423645 /nfs/dbraw/zinc/42/36/45/798423645.db2.gz IOUXRWNGTXHSQY-IAGOWNOFSA-N 2 2 316.449 2.170 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744852 798461599 /nfs/dbraw/zinc/46/15/99/798461599.db2.gz UHTBBSKJUNVHIZ-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744852 798461601 /nfs/dbraw/zinc/46/16/01/798461601.db2.gz UHTBBSKJUNVHIZ-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292290 798609495 /nfs/dbraw/zinc/60/94/95/798609495.db2.gz QRIDTJVLOCTLNQ-AWEZNQCLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446898 798891965 /nfs/dbraw/zinc/89/19/65/798891965.db2.gz GTBMDWVPULZTOT-HNNXBMFYSA-N 2 2 316.449 2.376 20 30 DEEDLP CC#CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521936 800367832 /nfs/dbraw/zinc/36/78/32/800367832.db2.gz JVIXBKBMJCWXEL-UHFFFAOYSA-N 2 2 310.401 2.028 20 30 DEEDLP C=CCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428381 800530926 /nfs/dbraw/zinc/53/09/26/800530926.db2.gz ZHCQIMLVZULXPL-HNNXBMFYSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969585 800643137 /nfs/dbraw/zinc/64/31/37/800643137.db2.gz BRJLBEFNPWGODS-UHFFFAOYSA-N 2 2 304.438 2.068 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208550958 801008997 /nfs/dbraw/zinc/00/89/97/801008997.db2.gz GPVVTDXBBRRALH-HNNXBMFYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559366 801012637 /nfs/dbraw/zinc/01/26/37/801012637.db2.gz NIOLUFBNWFVZTF-IJEWVQPXSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559366 801012644 /nfs/dbraw/zinc/01/26/44/801012644.db2.gz NIOLUFBNWFVZTF-IJEWVQPXSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558852 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316.449 2.232 20 30 DEEDLP N#Cc1ccc(-c2ccccc2NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001219271285 802304882 /nfs/dbraw/zinc/30/48/82/802304882.db2.gz ROZGJAVCRVGHMM-UHFFFAOYSA-N 2 2 320.396 2.245 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221628031 802598582 /nfs/dbraw/zinc/59/85/82/802598582.db2.gz GXOYWYVYMXASHE-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221628031 802598589 /nfs/dbraw/zinc/59/85/89/802598589.db2.gz GXOYWYVYMXASHE-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221628031 802598591 /nfs/dbraw/zinc/59/85/91/802598591.db2.gz GXOYWYVYMXASHE-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221628031 802598598 /nfs/dbraw/zinc/59/85/98/802598598.db2.gz GXOYWYVYMXASHE-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223577764 802802103 /nfs/dbraw/zinc/80/21/03/802802103.db2.gz GDKHOZCSJCIGGC-UHFFFAOYSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224805153 802906123 /nfs/dbraw/zinc/90/61/23/802906123.db2.gz REQNIEYZTIGDOT-OAHLLOKOSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224805153 802906127 /nfs/dbraw/zinc/90/61/27/802906127.db2.gz REQNIEYZTIGDOT-OAHLLOKOSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001331203073 1149395652 /nfs/dbraw/zinc/39/56/52/1149395652.db2.gz RBVYRUNAYMIFJN-NVXWUHKLSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001500003510 1058425650 /nfs/dbraw/zinc/42/56/50/1058425650.db2.gz UYZDVHBYZJNDJK-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001500003510 1058425656 /nfs/dbraw/zinc/42/56/56/1058425656.db2.gz UYZDVHBYZJNDJK-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001500123364 1058505738 /nfs/dbraw/zinc/50/57/38/1058505738.db2.gz WTFSUEYKCLTKRW-INIZCTEOSA-N 2 2 304.438 2.101 20 30 DEEDLP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001501684580 1059634351 /nfs/dbraw/zinc/63/43/51/1059634351.db2.gz VLFCUCNFWDOXDB-HNNXBMFYSA-N 2 2 312.417 2.426 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001502834458 1060345596 /nfs/dbraw/zinc/34/55/96/1060345596.db2.gz LFKVQTGJKFHEEP-JKSUJKDBSA-N 2 2 316.449 2.074 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001502834458 1060345614 /nfs/dbraw/zinc/34/56/14/1060345614.db2.gz LFKVQTGJKFHEEP-JKSUJKDBSA-N 2 2 316.449 2.074 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001479525474 1061492234 /nfs/dbraw/zinc/49/22/34/1061492234.db2.gz MIJNDEBHOCNJDV-IRXDYDNUSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001479695002 1061608964 /nfs/dbraw/zinc/60/89/64/1061608964.db2.gz SZRHWKPZVPCRBT-INIZCTEOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001506523929 1062080036 /nfs/dbraw/zinc/08/00/36/1062080036.db2.gz OODXSFBALPRURW-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001506538966 1062099081 /nfs/dbraw/zinc/09/90/81/1062099081.db2.gz RNXOMKFQKVOTIJ-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001506579042 1062153918 /nfs/dbraw/zinc/15/39/18/1062153918.db2.gz KZERCHSNMOPFKR-KRWDZBQOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001506579042 1062153934 /nfs/dbraw/zinc/15/39/34/1062153934.db2.gz KZERCHSNMOPFKR-KRWDZBQOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001506971218 1062615665 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C=CC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001267633557 1079318133 /nfs/dbraw/zinc/31/81/33/1079318133.db2.gz DDJVGVNMYABPEK-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001267633557 1079318139 /nfs/dbraw/zinc/31/81/39/1079318139.db2.gz DDJVGVNMYABPEK-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001267633557 1079318150 /nfs/dbraw/zinc/31/81/50/1079318150.db2.gz DDJVGVNMYABPEK-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001565827831 1075191035 /nfs/dbraw/zinc/19/10/35/1075191035.db2.gz HIPRBDVEDRGVCM-HNNXBMFYSA-N 2 2 304.438 2.115 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001565827831 1075191040 /nfs/dbraw/zinc/19/10/40/1075191040.db2.gz HIPRBDVEDRGVCM-HNNXBMFYSA-N 2 2 304.438 2.115 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)C)[C@@H]1C ZINC001566092955 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QLVQWXUDCNRARK-KRWDZBQOSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001268170050 1080158237 /nfs/dbraw/zinc/15/82/37/1080158237.db2.gz FLAFRUBHYIPGGW-CVEARBPZSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001661226994 1080459350 /nfs/dbraw/zinc/45/93/50/1080459350.db2.gz NGSLGTBGDOMYGW-HZPDHXFCSA-N 2 2 304.438 2.191 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001661226994 1080459356 /nfs/dbraw/zinc/45/93/56/1080459356.db2.gz NGSLGTBGDOMYGW-HZPDHXFCSA-N 2 2 304.438 2.191 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001662797486 1080657889 /nfs/dbraw/zinc/65/78/89/1080657889.db2.gz TXNFRINPPQTRGP-HZPDHXFCSA-N 2 2 304.438 2.256 20 30 DEEDLP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001482017148 1080690743 /nfs/dbraw/zinc/69/07/43/1080690743.db2.gz UFQHBRAVKVOBFC-SHTZXODSSA-N 2 2 304.438 2.326 20 30 DEEDLP 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2.351 20 30 DEEDLP C=CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252460716 1142721769 /nfs/dbraw/zinc/72/17/69/1142721769.db2.gz GZQNDNMBSFHJFI-LJQANCHMSA-N 2 2 318.461 2.146 20 30 DEEDLP C=CCOC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252460716 1142721778 /nfs/dbraw/zinc/72/17/78/1142721778.db2.gz GZQNDNMBSFHJFI-LJQANCHMSA-N 2 2 318.461 2.146 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](CCC)CC2)C1 ZINC001258777918 1144041593 /nfs/dbraw/zinc/04/15/93/1144041593.db2.gz NJGMHQNDLGSDLN-HNNXBMFYSA-N 2 2 309.454 2.237 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](CCC)CC2)C1 ZINC001258777918 1144041597 /nfs/dbraw/zinc/04/15/97/1144041597.db2.gz NJGMHQNDLGSDLN-HNNXBMFYSA-N 2 2 309.454 2.237 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265095438 1144642509 /nfs/dbraw/zinc/64/25/09/1144642509.db2.gz WNQYAUBMQWJBLZ-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265390907 1144701278 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DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001365910125 1146903639 /nfs/dbraw/zinc/90/36/39/1146903639.db2.gz QFZMZIVHFYEINV-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001365910125 1146903646 /nfs/dbraw/zinc/90/36/46/1146903646.db2.gz QFZMZIVHFYEINV-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001316933650 1147634497 /nfs/dbraw/zinc/63/44/97/1147634497.db2.gz LVZXWBZNHHRJFC-HNNXBMFYSA-N 2 2 304.438 2.333 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCCCC)C1 ZINC001316983174 1147643028 /nfs/dbraw/zinc/64/30/28/1147643028.db2.gz PIAIKXKCNZGOPN-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCCC)C1 ZINC001316983174 1147643031 /nfs/dbraw/zinc/64/30/31/1147643031.db2.gz PIAIKXKCNZGOPN-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCCC)C1 ZINC001316983174 1147643033 /nfs/dbraw/zinc/64/30/33/1147643033.db2.gz PIAIKXKCNZGOPN-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCCC)C1 ZINC001316983174 1147643035 /nfs/dbraw/zinc/64/30/35/1147643035.db2.gz PIAIKXKCNZGOPN-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C=CCC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001317005139 1147647336 /nfs/dbraw/zinc/64/73/36/1147647336.db2.gz DLXAKQZLKHZRJS-UHFFFAOYSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001367182727 1147661374 /nfs/dbraw/zinc/66/13/74/1147661374.db2.gz HRRJZMUKHKAXQJ-MLGOLLRUSA-N 2 2 324.856 2.359 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317137939 1147664996 /nfs/dbraw/zinc/66/49/96/1147664996.db2.gz LBCIOXFWRSCWFQ-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317137939 1147664998 /nfs/dbraw/zinc/66/49/98/1147664998.db2.gz LBCIOXFWRSCWFQ-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805104 1147754126 /nfs/dbraw/zinc/75/41/26/1147754126.db2.gz ILICHTRKQWAMJK-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805104 1147754128 /nfs/dbraw/zinc/75/41/28/1147754128.db2.gz ILICHTRKQWAMJK-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324656255 1147826353 /nfs/dbraw/zinc/82/63/53/1147826353.db2.gz LXOIQEDGAJYOKJ-WBVHZDCISA-N 2 2 304.438 2.381 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324656255 1147826355 /nfs/dbraw/zinc/82/63/55/1147826355.db2.gz LXOIQEDGAJYOKJ-WBVHZDCISA-N 2 2 304.438 2.381 20 30 DEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595510437 358469816 /nfs/dbraw/zinc/46/98/16/358469816.db2.gz CPGOMSPNTFGNLV-UHFFFAOYSA-N 2 2 301.434 2.131 20 30 DEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NCC1CCC1 ZINC000083822017 355471133 /nfs/dbraw/zinc/47/11/33/355471133.db2.gz TYSYXSOWLDZPEQ-UHFFFAOYSA-N 2 2 312.421 2.041 20 30 DEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000581998070 357282189 /nfs/dbraw/zinc/28/21/89/357282189.db2.gz SIDDXUUMXMZKTC-ROUUACIJSA-N 2 2 318.461 2.229 20 30 DEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000581998070 357282190 /nfs/dbraw/zinc/28/21/90/357282190.db2.gz SIDDXUUMXMZKTC-ROUUACIJSA-N 2 2 318.461 2.229 20 30 DEEDLP Cc1[nH+]cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000596982499 358799342 /nfs/dbraw/zinc/79/93/42/358799342.db2.gz CRIMSLKXSHMEJY-UHFFFAOYSA-N 2 2 323.444 2.308 20 30 DEEDLP Cc1[nH+]cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000596982499 358799345 /nfs/dbraw/zinc/79/93/45/358799345.db2.gz CRIMSLKXSHMEJY-UHFFFAOYSA-N 2 2 323.444 2.308 20 30 DEEDLP Cc1cccn2cc(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)[nH+]c12 ZINC000598718703 359304059 /nfs/dbraw/zinc/30/40/59/359304059.db2.gz GLHYLSWVJMUUGD-HNNXBMFYSA-N 2 2 300.406 2.076 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281491330 216337541 /nfs/dbraw/zinc/33/75/41/216337541.db2.gz XKVQCFBYARXDHR-OAHLLOKOSA-N 2 2 314.433 2.303 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281491330 216337544 /nfs/dbraw/zinc/33/75/44/216337544.db2.gz XKVQCFBYARXDHR-OAHLLOKOSA-N 2 2 314.433 2.303 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630944594 367925334 /nfs/dbraw/zinc/92/53/34/367925334.db2.gz VYPSHTGNQGLTIP-UHFFFAOYSA-N 2 2 324.428 2.181 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157348342 197180519 /nfs/dbraw/zinc/18/05/19/197180519.db2.gz LFHXYQIZBJOCHM-KRWDZBQOSA-N 2 2 307.482 2.361 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157348342 197180521 /nfs/dbraw/zinc/18/05/21/197180521.db2.gz LFHXYQIZBJOCHM-KRWDZBQOSA-N 2 2 307.482 2.361 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1F ZINC000374427058 148246176 /nfs/dbraw/zinc/24/61/76/148246176.db2.gz HAHCVRUQYTWUAA-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1F ZINC000374427058 148246177 /nfs/dbraw/zinc/24/61/77/148246177.db2.gz HAHCVRUQYTWUAA-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1cccc(Cl)c1 ZINC000073780334 401721912 /nfs/dbraw/zinc/72/19/12/401721912.db2.gz QDALHVVZTNSFAV-UHFFFAOYSA-N 2 2 305.813 2.244 20 30 DEEDLP Cc1ccc(NC(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)cc1C ZINC000170914924 402541216 /nfs/dbraw/zinc/54/12/16/402541216.db2.gz MBIQQMJFIWTKRQ-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCOCC2(C)C)cc1C ZINC000170914924 402541219 /nfs/dbraw/zinc/54/12/19/402541219.db2.gz MBIQQMJFIWTKRQ-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169614 402514960 /nfs/dbraw/zinc/51/49/60/402514960.db2.gz PLQBDCQIPNXNDL-GJZGRUSLSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169614 402514963 /nfs/dbraw/zinc/51/49/63/402514963.db2.gz PLQBDCQIPNXNDL-GJZGRUSLSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246169614 402514965 /nfs/dbraw/zinc/51/49/65/402514965.db2.gz PLQBDCQIPNXNDL-GJZGRUSLSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246169614 402514967 /nfs/dbraw/zinc/51/49/67/402514967.db2.gz PLQBDCQIPNXNDL-GJZGRUSLSA-N 2 2 314.433 2.159 20 30 DEEDLP CO[C@H](C)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000181607894 402651753 /nfs/dbraw/zinc/65/17/53/402651753.db2.gz GRDXMMMIXRYHJG-CQSZACIVSA-N 2 2 305.422 2.344 20 30 DEEDLP CN(C)C(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890783 402803452 /nfs/dbraw/zinc/80/34/52/402803452.db2.gz ZVUYDCANCMVOGI-LBPRGKRZSA-N 2 2 302.344 2.184 20 30 DEEDLP N#CCCn1cc(C[NH2+]CC[NH+]2CCCC2)c(-c2ccncc2)n1 ZINC000278761556 402870760 /nfs/dbraw/zinc/87/07/60/402870760.db2.gz XHAPVRWASNWVBV-UHFFFAOYSA-N 2 2 324.432 2.044 20 30 DEEDLP CN(CCC[N@H+](C)Cc1ccc(F)cc1C#N)CC[NH+](C)C ZINC000344070186 403890539 /nfs/dbraw/zinc/89/05/39/403890539.db2.gz QDMSMPHGTSYBDV-UHFFFAOYSA-N 2 2 306.429 2.013 20 30 DEEDLP CN(CCC[N@@H+](C)Cc1ccc(F)cc1C#N)CC[NH+](C)C ZINC000344070186 403890542 /nfs/dbraw/zinc/89/05/42/403890542.db2.gz QDMSMPHGTSYBDV-UHFFFAOYSA-N 2 2 306.429 2.013 20 30 DEEDLP Cc1ncsc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000289405402 403948033 /nfs/dbraw/zinc/94/80/33/403948033.db2.gz OQHTXYPHXPXEOW-UHFFFAOYSA-N 2 2 304.419 2.350 20 30 DEEDLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000337477822 404051996 /nfs/dbraw/zinc/05/19/96/404051996.db2.gz ZIUJIMAKFDEFGF-SFHVURJKSA-N 2 2 313.445 2.411 20 30 DEEDLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000337477822 404052001 /nfs/dbraw/zinc/05/20/01/404052001.db2.gz ZIUJIMAKFDEFGF-SFHVURJKSA-N 2 2 313.445 2.411 20 30 DEEDLP CCc1ocnc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329788252 404452235 /nfs/dbraw/zinc/45/22/35/404452235.db2.gz RSFROKMIQDSWQR-UHFFFAOYSA-N 2 2 320.437 2.100 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350731485 404455380 /nfs/dbraw/zinc/45/53/80/404455380.db2.gz APEYJRWJSPXYFC-SJLPKXTDSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350731485 404455383 /nfs/dbraw/zinc/45/53/83/404455383.db2.gz APEYJRWJSPXYFC-SJLPKXTDSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350731485 404455389 /nfs/dbraw/zinc/45/53/89/404455389.db2.gz APEYJRWJSPXYFC-SJLPKXTDSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350731485 404455395 /nfs/dbraw/zinc/45/53/95/404455395.db2.gz APEYJRWJSPXYFC-SJLPKXTDSA-N 2 2 319.493 2.239 20 30 DEEDLP COCC1(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000291963450 404602503 /nfs/dbraw/zinc/60/25/03/404602503.db2.gz RMCKVIZVYKHLHC-UHFFFAOYSA-N 2 2 305.422 2.202 20 30 DEEDLP COc1ccccc1[C@H](CNc1cc(C)[nH+]cc1C#N)[NH+](C)C ZINC000425197643 405257056 /nfs/dbraw/zinc/25/70/56/405257056.db2.gz CKWFXKFLDKDOIY-KRWDZBQOSA-N 2 2 310.401 2.407 20 30 DEEDLP C=CC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458982242 405677026 /nfs/dbraw/zinc/67/70/26/405677026.db2.gz AHGSCYIEAUIOIR-HNNXBMFYSA-N 2 2 322.497 2.009 20 30 DEEDLP C=CC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458982242 405677027 /nfs/dbraw/zinc/67/70/27/405677027.db2.gz AHGSCYIEAUIOIR-HNNXBMFYSA-N 2 2 322.497 2.009 20 30 DEEDLP C=C[C@](C)(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193448 406049141 /nfs/dbraw/zinc/04/91/41/406049141.db2.gz IFXBZZZJANZCME-QGZVFWFLSA-N 2 2 302.422 2.374 20 30 DEEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000571578762 292557913 /nfs/dbraw/zinc/55/79/13/292557913.db2.gz XMSFWISWDWBIKP-HNNXBMFYSA-N 2 2 301.434 2.444 20 30 DEEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000571578763 292557935 /nfs/dbraw/zinc/55/79/35/292557935.db2.gz XMSFWISWDWBIKP-OAHLLOKOSA-N 2 2 301.434 2.444 20 30 DEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1ccc(F)cc1 ZINC000170913274 224744527 /nfs/dbraw/zinc/74/45/27/224744527.db2.gz GPHLBSAPSUEMCK-AWEZNQCLSA-N 2 2 301.369 2.250 20 30 DEEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccccn1 ZINC000170910340 224745411 /nfs/dbraw/zinc/74/54/11/224745411.db2.gz QKJAQGFTKKZXFV-UHFFFAOYSA-N 2 2 310.336 2.333 20 30 DEEDLP C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060491 425393348 /nfs/dbraw/zinc/39/33/48/425393348.db2.gz FTTHBRHNGBPMPX-LBPRGKRZSA-N 2 2 315.870 2.195 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)C1=O ZINC000366898484 335323419 /nfs/dbraw/zinc/32/34/19/335323419.db2.gz WKFYQQBYEGTYFX-CVEARBPZSA-N 2 2 314.433 2.053 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)C1=O ZINC000366898484 335323421 /nfs/dbraw/zinc/32/34/21/335323421.db2.gz WKFYQQBYEGTYFX-CVEARBPZSA-N 2 2 314.433 2.053 20 30 DEEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)c1cccc2[nH+]ccn21 ZINC001329887884 1149009886 /nfs/dbraw/zinc/00/98/86/1149009886.db2.gz PYXBAVFPNDANDM-OAHLLOKOSA-N 2 2 312.417 2.236 20 30 DEEDLP C[NH+]=C(NCC(C)C)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262531114 526348450 /nfs/dbraw/zinc/34/84/50/526348450.db2.gz IIXCAJHOYBJFRI-ZDUSSCGKSA-N 2 2 308.495 2.316 20 30 DEEDLP C[NH+]=C(NCC(C)C)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000262531114 526348458 /nfs/dbraw/zinc/34/84/58/526348458.db2.gz IIXCAJHOYBJFRI-ZDUSSCGKSA-N 2 2 308.495 2.316 20 30 DEEDLP C[NH+]=C(NCC(C)(C)SC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262026528 526348780 /nfs/dbraw/zinc/34/87/80/526348780.db2.gz ZUVNFTWTQROQQT-ZIAGYGMSSA-N 2 2 323.510 2.483 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262696550 526375411 /nfs/dbraw/zinc/37/54/11/526375411.db2.gz DXLGIEGJRCHLIN-MBNYWOFBSA-N 2 2 306.479 2.068 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262696550 526375415 /nfs/dbraw/zinc/37/54/15/526375415.db2.gz DXLGIEGJRCHLIN-MBNYWOFBSA-N 2 2 306.479 2.068 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccccc1)[NH+](C)C ZINC000264037223 526415796 /nfs/dbraw/zinc/41/57/96/526415796.db2.gz GWXWZNBVSYSSAK-MRXNPFEDSA-N 2 2 300.406 2.248 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423019906 527189962 /nfs/dbraw/zinc/18/99/62/527189962.db2.gz XTKOHEILKTXGSJ-JCGIZDLHSA-N 2 2 304.434 2.263 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341660 527934906 /nfs/dbraw/zinc/93/49/06/527934906.db2.gz VMLODPCETXDQDL-RYRKJORJSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341660 527934910 /nfs/dbraw/zinc/93/49/10/527934910.db2.gz VMLODPCETXDQDL-RYRKJORJSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441341660 527934912 /nfs/dbraw/zinc/93/49/12/527934912.db2.gz VMLODPCETXDQDL-RYRKJORJSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441341660 527934915 /nfs/dbraw/zinc/93/49/15/527934915.db2.gz VMLODPCETXDQDL-RYRKJORJSA-N 2 2 322.497 2.236 20 30 DEEDLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330590234 528178331 /nfs/dbraw/zinc/17/83/31/528178331.db2.gz PWAGNCFXSNWUBQ-AWEZNQCLSA-N 2 2 307.442 2.164 20 30 DEEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CCCC1 ZINC000263226154 528807472 /nfs/dbraw/zinc/80/74/72/528807472.db2.gz GOCCPEPLDCOTLN-UHFFFAOYSA-N 2 2 303.454 2.260 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001379650749 1152664655 /nfs/dbraw/zinc/66/46/55/1152664655.db2.gz IWADZDBREBUTLI-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001379650749 1152664659 /nfs/dbraw/zinc/66/46/59/1152664659.db2.gz IWADZDBREBUTLI-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001379650749 1152664664 /nfs/dbraw/zinc/66/46/64/1152664664.db2.gz IWADZDBREBUTLI-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001379650749 1152664666 /nfs/dbraw/zinc/66/46/66/1152664666.db2.gz IWADZDBREBUTLI-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001026312047 625288702 /nfs/dbraw/zinc/28/87/02/625288702.db2.gz PGRGCOFWCLQZCC-HRCADAONSA-N 2 2 324.428 2.351 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585827 625336018 /nfs/dbraw/zinc/33/60/18/625336018.db2.gz NNIFVFSUDZIVDW-CABCVRRESA-N 2 2 316.449 2.234 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585827 625336019 /nfs/dbraw/zinc/33/60/19/625336019.db2.gz NNIFVFSUDZIVDW-CABCVRRESA-N 2 2 316.449 2.234 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459763 625452903 /nfs/dbraw/zinc/45/29/03/625452903.db2.gz SCSTWWXELZIKQJ-KBPBESRZSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459763 625452907 /nfs/dbraw/zinc/45/29/07/625452907.db2.gz SCSTWWXELZIKQJ-KBPBESRZSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970682338 623615516 /nfs/dbraw/zinc/61/55/16/623615516.db2.gz YLFIFRYESYRILP-AWEZNQCLSA-N 2 2 310.401 2.108 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603695 623818797 /nfs/dbraw/zinc/81/87/97/623818797.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603695 623818806 /nfs/dbraw/zinc/81/88/06/623818806.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603695 623818816 /nfs/dbraw/zinc/81/88/16/623818816.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603695 623818825 /nfs/dbraw/zinc/81/88/25/623818825.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996363609 633241775 /nfs/dbraw/zinc/24/17/75/633241775.db2.gz KCBDWVHDFKXLHF-UONOGXRCSA-N 2 2 324.856 2.413 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980475430 635015313 /nfs/dbraw/zinc/01/53/13/635015313.db2.gz FYSQOKKGJOLHLM-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000980475430 635015317 /nfs/dbraw/zinc/01/53/17/635015317.db2.gz FYSQOKKGJOLHLM-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000980475430 635015323 /nfs/dbraw/zinc/01/53/23/635015323.db2.gz FYSQOKKGJOLHLM-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000981432750 635478015 /nfs/dbraw/zinc/47/80/15/635478015.db2.gz CUNPDCSGDZRZSA-IAGOWNOFSA-N 2 2 322.412 2.136 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000921860683 635639622 /nfs/dbraw/zinc/63/96/22/635639622.db2.gz UNYCBPCZIYFCEJ-IRXDYDNUSA-N 2 2 319.474 2.477 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1Br ZINC000922147105 635896293 /nfs/dbraw/zinc/89/62/93/635896293.db2.gz JWQUUAVPNCQJEP-UHFFFAOYSA-N 2 2 320.234 2.365 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1Br ZINC000922147105 635896296 /nfs/dbraw/zinc/89/62/96/635896296.db2.gz JWQUUAVPNCQJEP-UHFFFAOYSA-N 2 2 320.234 2.365 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946570792 635950149 /nfs/dbraw/zinc/95/01/49/635950149.db2.gz HLUKTQORKFCTMZ-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946570792 635950151 /nfs/dbraw/zinc/95/01/51/635950151.db2.gz HLUKTQORKFCTMZ-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982762485 636386664 /nfs/dbraw/zinc/38/66/64/636386664.db2.gz FRNVKADZARBSQQ-HDICACEKSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982762485 636386666 /nfs/dbraw/zinc/38/66/66/636386666.db2.gz FRNVKADZARBSQQ-HDICACEKSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004594372 636496830 /nfs/dbraw/zinc/49/68/30/636496830.db2.gz XSDMKILZKFDKCU-INIZCTEOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004594372 636496833 /nfs/dbraw/zinc/49/68/33/636496833.db2.gz XSDMKILZKFDKCU-INIZCTEOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803882 636662303 /nfs/dbraw/zinc/66/23/03/636662303.db2.gz ZPHKYWRZADZFFA-YESZJQIVSA-N 2 2 316.449 2.191 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803882 636662305 /nfs/dbraw/zinc/66/23/05/636662305.db2.gz ZPHKYWRZADZFFA-YESZJQIVSA-N 2 2 316.449 2.191 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c(O)c(OCC)c1 ZINC000894863605 637272119 /nfs/dbraw/zinc/27/21/19/637272119.db2.gz LXJKQJJENPIPCD-UHFFFAOYSA-N 2 2 310.825 2.489 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)c(O)c(OCC)c1 ZINC000894863605 637272121 /nfs/dbraw/zinc/27/21/21/637272121.db2.gz LXJKQJJENPIPCD-UHFFFAOYSA-N 2 2 310.825 2.489 20 30 DEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000895163631 637703073 /nfs/dbraw/zinc/70/30/73/637703073.db2.gz WVKSLPJSTUFYJJ-OIISXLGYSA-N 2 2 317.433 2.009 20 30 DEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000895163631 637703079 /nfs/dbraw/zinc/70/30/79/637703079.db2.gz WVKSLPJSTUFYJJ-OIISXLGYSA-N 2 2 317.433 2.009 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CC3CC3)CC2)cc1 ZINC000611438864 640658618 /nfs/dbraw/zinc/65/86/18/640658618.db2.gz VXLWUXHDOCUEOH-IBGZPJMESA-N 2 2 313.445 2.273 20 30 DEEDLP CCO[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000926958875 641538223 /nfs/dbraw/zinc/53/82/23/641538223.db2.gz HXIDSRXMHRHKCY-AEFFLSMTSA-N 2 2 301.434 2.492 20 30 DEEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154387896 647996106 /nfs/dbraw/zinc/99/61/06/647996106.db2.gz OIDZKBBIWJCFOU-ZFWWWQNUSA-N 2 2 312.841 2.391 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621576 648907228 /nfs/dbraw/zinc/90/72/28/648907228.db2.gz UFWUZMYSQCZSMY-UONOGXRCSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621576 648907230 /nfs/dbraw/zinc/90/72/30/648907230.db2.gz UFWUZMYSQCZSMY-UONOGXRCSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621576 648907232 /nfs/dbraw/zinc/90/72/32/648907232.db2.gz UFWUZMYSQCZSMY-UONOGXRCSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621576 648907234 /nfs/dbraw/zinc/90/72/34/648907234.db2.gz UFWUZMYSQCZSMY-UONOGXRCSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621575 648907384 /nfs/dbraw/zinc/90/73/84/648907384.db2.gz UFWUZMYSQCZSMY-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621575 648907387 /nfs/dbraw/zinc/90/73/87/648907387.db2.gz UFWUZMYSQCZSMY-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621575 648907390 /nfs/dbraw/zinc/90/73/90/648907390.db2.gz UFWUZMYSQCZSMY-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621575 648907392 /nfs/dbraw/zinc/90/73/92/648907392.db2.gz UFWUZMYSQCZSMY-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053501 649143905 /nfs/dbraw/zinc/14/39/05/649143905.db2.gz QCRYNTNPZQQIRL-CZUORRHYSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053501 649143907 /nfs/dbraw/zinc/14/39/07/649143907.db2.gz QCRYNTNPZQQIRL-CZUORRHYSA-N 2 2 312.417 2.269 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053852 649145066 /nfs/dbraw/zinc/14/50/66/649145066.db2.gz UYRUQAIAERJBPZ-PBHICJAKSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053852 649145067 /nfs/dbraw/zinc/14/50/67/649145067.db2.gz UYRUQAIAERJBPZ-PBHICJAKSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848532830 651468156 /nfs/dbraw/zinc/46/81/56/651468156.db2.gz BMEFXJHBDYMEBC-GOSISDBHSA-N 2 2 314.429 2.042 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NCc1ccccc1-n1cc[nH+]c1 ZINC000849036722 651590600 /nfs/dbraw/zinc/59/06/00/651590600.db2.gz ZQZVKQDAKDEJMG-UHFFFAOYSA-N 2 2 309.373 2.331 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000385719033 685414844 /nfs/dbraw/zinc/41/48/44/685414844.db2.gz IVHZIHKIIRJXPT-UHFFFAOYSA-N 2 2 311.223 2.199 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000385719033 685414846 /nfs/dbraw/zinc/41/48/46/685414846.db2.gz IVHZIHKIIRJXPT-UHFFFAOYSA-N 2 2 311.223 2.199 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001054653637 694015855 /nfs/dbraw/zinc/01/58/55/694015855.db2.gz BYXFWFJMFOCBDS-CJNGLKHVSA-N 2 2 312.417 2.269 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001054942663 694077752 /nfs/dbraw/zinc/07/77/52/694077752.db2.gz ZLAKRTVSGHDZDC-MAUKXSAKSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016338229 687595051 /nfs/dbraw/zinc/59/50/51/687595051.db2.gz JQQHYBAEGDIRNT-OAHLLOKOSA-N 2 2 321.852 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016338229 687595055 /nfs/dbraw/zinc/59/50/55/687595055.db2.gz JQQHYBAEGDIRNT-OAHLLOKOSA-N 2 2 321.852 2.305 20 30 DEEDLP N#Cc1ccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000866587939 687621612 /nfs/dbraw/zinc/62/16/12/687621612.db2.gz QLBVAGBTEUYGPL-UHFFFAOYSA-N 2 2 310.445 2.307 20 30 DEEDLP CC[NH2+]CC1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866662090 687643736 /nfs/dbraw/zinc/64/37/36/687643736.db2.gz WWPRXXJUAOJSQT-KRWDZBQOSA-N 2 2 315.417 2.094 20 30 DEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872234940 688959627 /nfs/dbraw/zinc/95/96/27/688959627.db2.gz ALCIJOTZUQHILQ-SJORKVTESA-N 2 2 305.466 2.428 20 30 DEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872234940 688959630 /nfs/dbraw/zinc/95/96/30/688959630.db2.gz ALCIJOTZUQHILQ-SJORKVTESA-N 2 2 305.466 2.428 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032487876 689165091 /nfs/dbraw/zinc/16/50/91/689165091.db2.gz INXWRBFAWOIDGC-HOTGVXAUSA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032487876 689165095 /nfs/dbraw/zinc/16/50/95/689165095.db2.gz INXWRBFAWOIDGC-HOTGVXAUSA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032487876 689165097 /nfs/dbraw/zinc/16/50/97/689165097.db2.gz INXWRBFAWOIDGC-HOTGVXAUSA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032487876 689165100 /nfs/dbraw/zinc/16/51/00/689165100.db2.gz INXWRBFAWOIDGC-HOTGVXAUSA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034267903 689788019 /nfs/dbraw/zinc/78/80/19/689788019.db2.gz ZPGBQRZCLXTBGO-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034267903 689788022 /nfs/dbraw/zinc/78/80/22/689788022.db2.gz ZPGBQRZCLXTBGO-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000876716737 689913906 /nfs/dbraw/zinc/91/39/06/689913906.db2.gz LZWHTCWUMVYPIH-CQSZACIVSA-N 2 2 322.840 2.158 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001036085885 690256730 /nfs/dbraw/zinc/25/67/30/690256730.db2.gz XJKAJQUIARIBEY-ZBFHGGJFSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001036122092 690267820 /nfs/dbraw/zinc/26/78/20/690267820.db2.gz HENMSTYLCIGWAE-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036880825 690513070 /nfs/dbraw/zinc/51/30/70/690513070.db2.gz LNSRHSBQXOKJQY-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036880825 690513073 /nfs/dbraw/zinc/51/30/73/690513073.db2.gz LNSRHSBQXOKJQY-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000879286463 690610908 /nfs/dbraw/zinc/61/09/08/690610908.db2.gz CPCHAXMNMRBEOO-KRWDZBQOSA-N 2 2 301.434 2.398 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037964236 690651310 /nfs/dbraw/zinc/65/13/10/690651310.db2.gz HPLJAKOVHUTUCT-KBPBESRZSA-N 2 2 304.438 2.090 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001037970821 690652805 /nfs/dbraw/zinc/65/28/05/690652805.db2.gz ULTAGKLFEZCOQA-KBPBESRZSA-N 2 2 324.856 2.230 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879590192 690682567 /nfs/dbraw/zinc/68/25/67/690682567.db2.gz UBADDJBYMQDPSR-UHFFFAOYSA-N 2 2 313.380 2.025 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165519 691037457 /nfs/dbraw/zinc/03/74/57/691037457.db2.gz MUKCKJWFDYTROE-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165519 691037459 /nfs/dbraw/zinc/03/74/59/691037459.db2.gz MUKCKJWFDYTROE-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224225 691060129 /nfs/dbraw/zinc/06/01/29/691060129.db2.gz DPODJPWFCBHANA-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224225 691060130 /nfs/dbraw/zinc/06/01/30/691060130.db2.gz DPODJPWFCBHANA-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253350 691070161 /nfs/dbraw/zinc/07/01/61/691070161.db2.gz DJIYIRJSJBPNRL-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253350 691070162 /nfs/dbraw/zinc/07/01/62/691070162.db2.gz DJIYIRJSJBPNRL-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040423057 691245277 /nfs/dbraw/zinc/24/52/77/691245277.db2.gz QYGYNPCERJYEOX-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040423057 691245280 /nfs/dbraw/zinc/24/52/80/691245280.db2.gz QYGYNPCERJYEOX-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040423056 691245455 /nfs/dbraw/zinc/24/54/55/691245455.db2.gz QYGYNPCERJYEOX-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040423056 691245456 /nfs/dbraw/zinc/24/54/56/691245456.db2.gz QYGYNPCERJYEOX-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000883131202 691435757 /nfs/dbraw/zinc/43/57/57/691435757.db2.gz OABZACJKMKXHSP-UHFFFAOYSA-N 2 2 319.478 2.267 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000883131202 691435758 /nfs/dbraw/zinc/43/57/58/691435758.db2.gz OABZACJKMKXHSP-UHFFFAOYSA-N 2 2 319.478 2.267 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000883131504 691436768 /nfs/dbraw/zinc/43/67/68/691436768.db2.gz FLUGNBGEOSFPRH-AWEZNQCLSA-N 2 2 302.418 2.063 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000883131504 691436772 /nfs/dbraw/zinc/43/67/72/691436772.db2.gz FLUGNBGEOSFPRH-AWEZNQCLSA-N 2 2 302.418 2.063 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042175268 691529464 /nfs/dbraw/zinc/52/94/64/691529464.db2.gz AREZEJDUHYCNFY-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042175268 691529466 /nfs/dbraw/zinc/52/94/66/691529466.db2.gz AREZEJDUHYCNFY-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccccc1C#N ZINC000931722125 694464643 /nfs/dbraw/zinc/46/46/43/694464643.db2.gz DAYBRKOFUVHBQE-JKSUJKDBSA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccccc1C#N ZINC000931722125 694464646 /nfs/dbraw/zinc/46/46/46/694464646.db2.gz DAYBRKOFUVHBQE-JKSUJKDBSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1C#N ZINC000931722125 694464647 /nfs/dbraw/zinc/46/46/47/694464647.db2.gz DAYBRKOFUVHBQE-JKSUJKDBSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000931722125 694464651 /nfs/dbraw/zinc/46/46/51/694464651.db2.gz DAYBRKOFUVHBQE-JKSUJKDBSA-N 2 2 312.417 2.055 20 30 DEEDLP C=CCC[NH+]1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001042831823 691655834 /nfs/dbraw/zinc/65/58/34/691655834.db2.gz YABDLVZBZFLGRZ-UHFFFAOYSA-N 2 2 307.463 2.142 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001044056218 691764202 /nfs/dbraw/zinc/76/42/02/691764202.db2.gz ODIGOMXFASICNH-UHFFFAOYSA-N 2 2 301.434 2.081 20 30 DEEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046738923 692279109 /nfs/dbraw/zinc/27/91/09/692279109.db2.gz FWZBPVDABRSCGE-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046738923 692279110 /nfs/dbraw/zinc/27/91/10/692279110.db2.gz FWZBPVDABRSCGE-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050685150 693232232 /nfs/dbraw/zinc/23/22/32/693232232.db2.gz ZPYRZRSBQMPCBP-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP CC(C)([NH3+])CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000925742295 693333945 /nfs/dbraw/zinc/33/39/45/693333945.db2.gz SDUGTIBGVHBXMH-UHFFFAOYSA-N 3 2 300.450 2.240 20 30 DEEDLP C=CCCc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926111644 693398111 /nfs/dbraw/zinc/39/81/11/693398111.db2.gz HVTBKVFXAHJKBB-UHFFFAOYSA-N 2 2 316.449 2.350 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001332259160 1149841115 /nfs/dbraw/zinc/84/11/15/1149841115.db2.gz DORDKKBWCKTLTN-NVXWUHKLSA-N 2 2 324.428 2.154 20 30 DEEDLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001363896850 1153702310 /nfs/dbraw/zinc/70/23/10/1153702310.db2.gz YNVWEYUUMMSSBZ-KRWDZBQOSA-N 2 2 301.434 2.398 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001371770831 1156008097 /nfs/dbraw/zinc/00/80/97/1156008097.db2.gz JJVVCXRWZFBCMO-NSHDSACASA-N 2 2 306.797 2.413 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001392309372 1157008858 /nfs/dbraw/zinc/00/88/58/1157008858.db2.gz JREKQQSPIJZXAE-UHFFFAOYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001392309372 1157008865 /nfs/dbraw/zinc/00/88/65/1157008865.db2.gz JREKQQSPIJZXAE-UHFFFAOYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001392656571 1157302702 /nfs/dbraw/zinc/30/27/02/1157302702.db2.gz DETWVZYXWIWEMX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001392656571 1157302709 /nfs/dbraw/zinc/30/27/09/1157302709.db2.gz DETWVZYXWIWEMX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001392656571 1157302715 /nfs/dbraw/zinc/30/27/15/1157302715.db2.gz DETWVZYXWIWEMX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001392656571 1157302720 /nfs/dbraw/zinc/30/27/20/1157302720.db2.gz DETWVZYXWIWEMX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001403346398 1162857890 /nfs/dbraw/zinc/85/78/90/1162857890.db2.gz PZAZZOFSJMLKMD-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001406108649 1164449779 /nfs/dbraw/zinc/44/97/79/1164449779.db2.gz BJQLLCCYAZWXSV-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001406108649 1164449783 /nfs/dbraw/zinc/44/97/83/1164449783.db2.gz BJQLLCCYAZWXSV-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001406108649 1164449787 /nfs/dbraw/zinc/44/97/87/1164449787.db2.gz BJQLLCCYAZWXSV-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001406108649 1164449792 /nfs/dbraw/zinc/44/97/92/1164449792.db2.gz BJQLLCCYAZWXSV-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001422988539 1173001750 /nfs/dbraw/zinc/00/17/50/1173001750.db2.gz ZFKKRGSLRWUBAV-ZFWWWQNUSA-N 2 2 324.856 2.413 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001438922455 1180852058 /nfs/dbraw/zinc/85/20/58/1180852058.db2.gz MZKMBVFTWQATMV-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001438922455 1180852062 /nfs/dbraw/zinc/85/20/62/1180852062.db2.gz MZKMBVFTWQATMV-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001438922455 1180852064 /nfs/dbraw/zinc/85/20/64/1180852064.db2.gz MZKMBVFTWQATMV-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001438922455 1180852068 /nfs/dbraw/zinc/85/20/68/1180852068.db2.gz MZKMBVFTWQATMV-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001440935565 1181783251 /nfs/dbraw/zinc/78/32/51/1181783251.db2.gz AVLRWSITICKREH-LBPRGKRZSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001440935565 1181783257 /nfs/dbraw/zinc/78/32/57/1181783257.db2.gz AVLRWSITICKREH-LBPRGKRZSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001440935559 1181783338 /nfs/dbraw/zinc/78/33/38/1181783338.db2.gz AVLRWSITICKREH-GFCCVEGCSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001440935559 1181783344 /nfs/dbraw/zinc/78/33/44/1181783344.db2.gz AVLRWSITICKREH-GFCCVEGCSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444823108 1183571715 /nfs/dbraw/zinc/57/17/15/1183571715.db2.gz CPBISGAXWPOWAX-UONOGXRCSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444823108 1183571729 /nfs/dbraw/zinc/57/17/29/1183571729.db2.gz CPBISGAXWPOWAX-UONOGXRCSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444823109 1183572260 /nfs/dbraw/zinc/57/22/60/1183572260.db2.gz CPBISGAXWPOWAX-ZIAGYGMSSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444823109 1183572266 /nfs/dbraw/zinc/57/22/66/1183572266.db2.gz CPBISGAXWPOWAX-ZIAGYGMSSA-N 2 2 324.856 2.312 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569279 783218617 /nfs/dbraw/zinc/21/86/17/783218617.db2.gz VAARWOGINARKLT-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569279 783218628 /nfs/dbraw/zinc/21/86/28/783218628.db2.gz VAARWOGINARKLT-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087610450 779376433 /nfs/dbraw/zinc/37/64/33/779376433.db2.gz JXCVGEPZYLUHKQ-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087610450 779376438 /nfs/dbraw/zinc/37/64/38/779376438.db2.gz JXCVGEPZYLUHKQ-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087610450 779376444 /nfs/dbraw/zinc/37/64/44/779376444.db2.gz JXCVGEPZYLUHKQ-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087610450 779376448 /nfs/dbraw/zinc/37/64/48/779376448.db2.gz JXCVGEPZYLUHKQ-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001088336128 779985718 /nfs/dbraw/zinc/98/57/18/779985718.db2.gz VVAHOIIKHUIVKY-MRXNPFEDSA-N 2 2 317.433 2.180 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380473 780047443 /nfs/dbraw/zinc/04/74/43/780047443.db2.gz IPECLJZPEASGSC-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001088386715 780056868 /nfs/dbraw/zinc/05/68/68/780056868.db2.gz WBRLCZRVUKDYHZ-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582827 780777466 /nfs/dbraw/zinc/77/74/66/780777466.db2.gz YLKVYPMLIFUCAQ-MRXNPFEDSA-N 2 2 316.449 2.210 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088709589 780882156 /nfs/dbraw/zinc/88/21/56/780882156.db2.gz JKAGOGDARZESBW-DOMZBBRYSA-N 2 2 318.808 2.279 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088709589 780882164 /nfs/dbraw/zinc/88/21/64/780882164.db2.gz JKAGOGDARZESBW-DOMZBBRYSA-N 2 2 318.808 2.279 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099363623 783239870 /nfs/dbraw/zinc/23/98/70/783239870.db2.gz AETAGCOEHRNWEL-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099363623 783239876 /nfs/dbraw/zinc/23/98/76/783239876.db2.gz AETAGCOEHRNWEL-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664162 783336128 /nfs/dbraw/zinc/33/61/28/783336128.db2.gz DFTFWHOAUPKBBQ-MRXNPFEDSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664162 783336136 /nfs/dbraw/zinc/33/61/36/783336136.db2.gz DFTFWHOAUPKBBQ-MRXNPFEDSA-N 2 2 324.428 2.188 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099993 783562176 /nfs/dbraw/zinc/56/21/76/783562176.db2.gz FXPIVOWKUBXSOH-CJNGLKHVSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099993 783562179 /nfs/dbraw/zinc/56/21/79/783562179.db2.gz FXPIVOWKUBXSOH-CJNGLKHVSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001091166833 790961069 /nfs/dbraw/zinc/96/10/69/790961069.db2.gz VFLROZHVPUCZTA-UHFFFAOYSA-N 2 2 310.401 2.156 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091227859 791047521 /nfs/dbraw/zinc/04/75/21/791047521.db2.gz RWWMYPJUUQJFQQ-WXRRBKDZSA-N 2 2 322.840 2.067 20 30 DEEDLP N#CC1(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2)CCCCC1 ZINC001169073787 785029826 /nfs/dbraw/zinc/02/98/26/785029826.db2.gz COAUUBLNFNQGBE-MRXNPFEDSA-N 2 2 324.428 2.460 20 30 DEEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711644 785508151 /nfs/dbraw/zinc/50/81/51/785508151.db2.gz NMKBMOMHWPNHOQ-IMJJTQAJSA-N 2 2 322.412 2.169 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735330 785515513 /nfs/dbraw/zinc/51/55/13/785515513.db2.gz BHNCADONNBMPLU-BBWFWOEESA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109976017 786117183 /nfs/dbraw/zinc/11/71/83/786117183.db2.gz NRHSBIMFPPJPTD-FSDCSDTHSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109976017 786117188 /nfs/dbraw/zinc/11/71/88/786117188.db2.gz NRHSBIMFPPJPTD-FSDCSDTHSA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551727 786157179 /nfs/dbraw/zinc/15/71/79/786157179.db2.gz NTCGECBDIBEXEO-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001113357979 786543872 /nfs/dbraw/zinc/54/38/72/786543872.db2.gz WSVAIUGXFPDHPY-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132024635 787883751 /nfs/dbraw/zinc/88/37/51/787883751.db2.gz HKGZYMHALFGJCQ-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132024635 787883761 /nfs/dbraw/zinc/88/37/61/787883761.db2.gz HKGZYMHALFGJCQ-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132024493 787885366 /nfs/dbraw/zinc/88/53/66/787885366.db2.gz GXTLNGUIANTYSR-CABCVRRESA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132024493 787885376 /nfs/dbraw/zinc/88/53/76/787885376.db2.gz GXTLNGUIANTYSR-CABCVRRESA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090863 787923992 /nfs/dbraw/zinc/92/39/92/787923992.db2.gz NCSMAHHNPHWVMQ-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090863 787924000 /nfs/dbraw/zinc/92/40/00/787924000.db2.gz NCSMAHHNPHWVMQ-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090863 787924007 /nfs/dbraw/zinc/92/40/07/787924007.db2.gz NCSMAHHNPHWVMQ-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090863 787924011 /nfs/dbraw/zinc/92/40/11/787924011.db2.gz NCSMAHHNPHWVMQ-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195752 787968536 /nfs/dbraw/zinc/96/85/36/787968536.db2.gz UMRUGWKKVFZWME-HOTGVXAUSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195752 787968545 /nfs/dbraw/zinc/96/85/45/787968545.db2.gz UMRUGWKKVFZWME-HOTGVXAUSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222179 787980044 /nfs/dbraw/zinc/98/00/44/787980044.db2.gz UWYVLHMMQHSUGM-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222179 787980048 /nfs/dbraw/zinc/98/00/48/787980048.db2.gz UWYVLHMMQHSUGM-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409980 788063619 /nfs/dbraw/zinc/06/36/19/788063619.db2.gz IAYWAFLXARGOLR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409980 788063625 /nfs/dbraw/zinc/06/36/25/788063625.db2.gz IAYWAFLXARGOLR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409980 788063635 /nfs/dbraw/zinc/06/36/35/788063635.db2.gz IAYWAFLXARGOLR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409980 788063643 /nfs/dbraw/zinc/06/36/43/788063643.db2.gz IAYWAFLXARGOLR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403218 788904085 /nfs/dbraw/zinc/90/40/85/788904085.db2.gz LENWDIOUCNCFGL-LSDHHAIUSA-N 2 2 318.465 2.211 20 30 DEEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135839961 789520974 /nfs/dbraw/zinc/52/09/74/789520974.db2.gz AFFNKQXUHRHWPH-HOTGVXAUSA-N 2 2 324.428 2.382 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056838 789612092 /nfs/dbraw/zinc/61/20/92/789612092.db2.gz VKPUJQKTEQVLDE-HUUCEWRRSA-N 2 2 306.454 2.192 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071607825 789809398 /nfs/dbraw/zinc/80/93/98/789809398.db2.gz SLRBHCSGLQLOAJ-HZPDHXFCSA-N 2 2 318.465 2.472 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071607825 789809403 /nfs/dbraw/zinc/80/94/03/789809403.db2.gz SLRBHCSGLQLOAJ-HZPDHXFCSA-N 2 2 318.465 2.472 20 30 DEEDLP NC(=O)c1ccc(C(=[NH2+])Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001171256741 791158493 /nfs/dbraw/zinc/15/84/93/791158493.db2.gz MAPXYIUUBXCNCS-UHFFFAOYSA-N 2 2 319.368 2.067 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950677 791862199 /nfs/dbraw/zinc/86/21/99/791862199.db2.gz HIPSCGJBQZAYRW-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358341 791868583 /nfs/dbraw/zinc/86/85/83/791868583.db2.gz DCPXDJSYZIKBSM-RBSFLKMASA-N 2 2 304.438 2.354 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358341 791868587 /nfs/dbraw/zinc/86/85/87/791868587.db2.gz DCPXDJSYZIKBSM-RBSFLKMASA-N 2 2 304.438 2.354 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171485931 793094040 /nfs/dbraw/zinc/09/40/40/793094040.db2.gz GGNNORHZYPGZLX-HNNXBMFYSA-N 2 2 319.449 2.473 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415058 793608002 /nfs/dbraw/zinc/60/80/02/793608002.db2.gz XRMGSLMLRRBVGN-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415058 793608008 /nfs/dbraw/zinc/60/80/08/793608008.db2.gz XRMGSLMLRRBVGN-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414394 793608242 /nfs/dbraw/zinc/60/82/42/793608242.db2.gz ATGDDGYJHGKTBC-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414394 793608252 /nfs/dbraw/zinc/60/82/52/793608252.db2.gz ATGDDGYJHGKTBC-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103144052 793956700 /nfs/dbraw/zinc/95/67/00/793956700.db2.gz GPAIINYAZALYIO-ZIAGYGMSSA-N 2 2 312.417 2.437 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103144052 793956706 /nfs/dbraw/zinc/95/67/06/793956706.db2.gz GPAIINYAZALYIO-ZIAGYGMSSA-N 2 2 312.417 2.437 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258883 794006927 /nfs/dbraw/zinc/00/69/27/794006927.db2.gz XEGHVKPBFMVCER-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258883 794006933 /nfs/dbraw/zinc/00/69/33/794006933.db2.gz XEGHVKPBFMVCER-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175502442 794225902 /nfs/dbraw/zinc/22/59/02/794225902.db2.gz JDRNNGYKUIORON-HOTGVXAUSA-N 2 2 304.438 2.122 20 30 DEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104136101 794392842 /nfs/dbraw/zinc/39/28/42/794392842.db2.gz KWQQTYBMIDKWSB-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178851506 795012394 /nfs/dbraw/zinc/01/23/94/795012394.db2.gz DFYNPMTZBDSSSQ-INIZCTEOSA-N 2 2 318.465 2.288 20 30 DEEDLP C#CCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705839 795162167 /nfs/dbraw/zinc/16/21/67/795162167.db2.gz OWFWNYJPPFHAJR-MRXNPFEDSA-N 2 2 304.438 2.124 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184275288 796033714 /nfs/dbraw/zinc/03/37/14/796033714.db2.gz ZYQDIFKJCJAAFT-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184852069 796129717 /nfs/dbraw/zinc/12/97/17/796129717.db2.gz SLVQOOFWHGLKTH-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905551 796149536 /nfs/dbraw/zinc/14/95/36/796149536.db2.gz WCYJSTUSKYUXRY-IRXDYDNUSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185575140 796285877 /nfs/dbraw/zinc/28/58/77/796285877.db2.gz UGOPOFQOCHATJP-HOCLYGCPSA-N 2 2 318.465 2.301 20 30 DEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190901212 797094928 /nfs/dbraw/zinc/09/49/28/797094928.db2.gz WNGJZDFSBBVQCC-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190901212 797094936 /nfs/dbraw/zinc/09/49/36/797094936.db2.gz WNGJZDFSBBVQCC-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321663 797181548 /nfs/dbraw/zinc/18/15/48/797181548.db2.gz XYPMKVJKOQVCDP-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321663 797181552 /nfs/dbraw/zinc/18/15/52/797181552.db2.gz XYPMKVJKOQVCDP-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462029 797567983 /nfs/dbraw/zinc/56/79/83/797567983.db2.gz JYKGEKFOCUFECF-CQSZACIVSA-N 2 2 304.438 2.186 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462029 797567987 /nfs/dbraw/zinc/56/79/87/797567987.db2.gz JYKGEKFOCUFECF-CQSZACIVSA-N 2 2 304.438 2.186 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696061 797613750 /nfs/dbraw/zinc/61/37/50/797613750.db2.gz PNYHMSLGHOCBBR-ZFWWWQNUSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696061 797613751 /nfs/dbraw/zinc/61/37/51/797613751.db2.gz PNYHMSLGHOCBBR-ZFWWWQNUSA-N 2 2 304.438 2.148 20 30 DEEDLP Cc1c[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c(/C=N/O)c1 ZINC001155459948 797761585 /nfs/dbraw/zinc/76/15/85/797761585.db2.gz ZUQXEFBZODHAQX-YVJZOELXSA-N 2 2 313.405 2.221 20 30 DEEDLP C=CCCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062231 798335622 /nfs/dbraw/zinc/33/56/22/798335622.db2.gz QTCHVYAPUYKLDD-UHFFFAOYSA-N 2 2 300.406 2.318 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534340 798423030 /nfs/dbraw/zinc/42/30/30/798423030.db2.gz VABWBEFVOPRBKM-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534340 798423033 /nfs/dbraw/zinc/42/30/33/798423033.db2.gz VABWBEFVOPRBKM-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292291 798609512 /nfs/dbraw/zinc/60/95/12/798609512.db2.gz QRIDTJVLOCTLNQ-CQSZACIVSA-N 2 2 304.438 2.278 20 30 DEEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001205479276 800362522 /nfs/dbraw/zinc/36/25/22/800362522.db2.gz YMYVNIXKBMNQHV-UHFFFAOYSA-N 2 2 321.396 2.014 20 30 DEEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001205479276 800362530 /nfs/dbraw/zinc/36/25/30/800362530.db2.gz YMYVNIXKBMNQHV-UHFFFAOYSA-N 2 2 321.396 2.014 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111078011 800414793 /nfs/dbraw/zinc/41/47/93/800414793.db2.gz GAIWBRDJNQHRII-JJXSEGSLSA-N 2 2 302.422 2.132 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111078011 800414798 /nfs/dbraw/zinc/41/47/98/800414798.db2.gz GAIWBRDJNQHRII-JJXSEGSLSA-N 2 2 302.422 2.132 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970956 800644584 /nfs/dbraw/zinc/64/45/84/800644584.db2.gz RPWRSKWCPKNXQI-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386890 800972339 /nfs/dbraw/zinc/97/23/39/800972339.db2.gz 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2.047 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486186166 1085114291 /nfs/dbraw/zinc/11/42/91/1085114291.db2.gz HLKQVJAMSIZBKL-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486186166 1085114298 /nfs/dbraw/zinc/11/42/98/1085114298.db2.gz HLKQVJAMSIZBKL-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000965010947 1085497883 /nfs/dbraw/zinc/49/78/83/1085497883.db2.gz IRQJFUOGIVTYPW-VYWJUGDHSA-N 2 2 314.433 2.033 20 30 DEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000962181406 1085998192 /nfs/dbraw/zinc/99/81/92/1085998192.db2.gz ONRUJDDEBWJGPO-PIIMJCKOSA-N 2 2 322.412 2.108 20 30 DEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000962181406 1085998199 /nfs/dbraw/zinc/99/81/99/1085998199.db2.gz ONRUJDDEBWJGPO-PIIMJCKOSA-N 2 2 322.412 2.108 20 30 DEEDLP C=C[C@H](O)C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001253581789 1086310475 /nfs/dbraw/zinc/31/04/75/1086310475.db2.gz DLYPUXJPXQWBEP-LBPRGKRZSA-N 2 2 322.206 2.043 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963313877 1086403319 /nfs/dbraw/zinc/40/33/19/1086403319.db2.gz HPCKBOORXARRFM-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963313877 1086403328 /nfs/dbraw/zinc/40/33/28/1086403328.db2.gz HPCKBOORXARRFM-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963313877 1086403336 /nfs/dbraw/zinc/40/33/36/1086403336.db2.gz HPCKBOORXARRFM-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963313877 1086403342 /nfs/dbraw/zinc/40/33/42/1086403342.db2.gz HPCKBOORXARRFM-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687900 1088320458 /nfs/dbraw/zinc/32/04/58/1088320458.db2.gz YEXLJQMFMYCFAL-BPLDGKMQSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079687900 1088320474 /nfs/dbraw/zinc/32/04/74/1088320474.db2.gz YEXLJQMFMYCFAL-BPLDGKMQSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079687900 1088320491 /nfs/dbraw/zinc/32/04/91/1088320491.db2.gz YEXLJQMFMYCFAL-BPLDGKMQSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079687900 1088320506 /nfs/dbraw/zinc/32/05/06/1088320506.db2.gz YEXLJQMFMYCFAL-BPLDGKMQSA-N 2 2 313.873 2.048 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001274446889 1091250535 /nfs/dbraw/zinc/25/05/35/1091250535.db2.gz SKIQULGUVCWZMZ-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001274446889 1091250540 /nfs/dbraw/zinc/25/05/40/1091250540.db2.gz SKIQULGUVCWZMZ-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001274964568 1091490464 /nfs/dbraw/zinc/49/04/64/1091490464.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 3 2 302.466 2.493 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001274964568 1091490476 /nfs/dbraw/zinc/49/04/76/1091490476.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 3 2 302.466 2.493 20 30 DEEDLP C=CCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001274964568 1091490487 /nfs/dbraw/zinc/49/04/87/1091490487.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 3 2 302.466 2.493 20 30 DEEDLP C=CCCC[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001274964568 1091490494 /nfs/dbraw/zinc/49/04/94/1091490494.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 3 2 302.466 2.493 20 30 DEEDLP CCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275131663 1091574352 /nfs/dbraw/zinc/57/43/52/1091574352.db2.gz WIHDFOPFKKCEPZ-MSOLQXFVSA-N 2 2 320.481 2.239 20 30 DEEDLP CCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275131663 1091574357 /nfs/dbraw/zinc/57/43/57/1091574357.db2.gz WIHDFOPFKKCEPZ-MSOLQXFVSA-N 2 2 320.481 2.239 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001489333092 1093026406 /nfs/dbraw/zinc/02/64/06/1093026406.db2.gz JHSNDMNTTJQGIU-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001489333092 1093026415 /nfs/dbraw/zinc/02/64/15/1093026415.db2.gz JHSNDMNTTJQGIU-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001489333092 1093026422 /nfs/dbraw/zinc/02/64/22/1093026422.db2.gz JHSNDMNTTJQGIU-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001489333092 1093026431 /nfs/dbraw/zinc/02/64/31/1093026431.db2.gz JHSNDMNTTJQGIU-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001278258084 1138862247 /nfs/dbraw/zinc/86/22/47/1138862247.db2.gz AMOQQOJCOMBYDX-HNNXBMFYSA-N 2 2 312.417 2.399 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001292957688 1138878519 /nfs/dbraw/zinc/87/85/19/1138878519.db2.gz NZAAIFJAGZICEK-INIZCTEOSA-N 2 2 304.438 2.075 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001318414688 1140321803 /nfs/dbraw/zinc/32/18/03/1140321803.db2.gz VLBIVFMFGOIZGZ-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001318414688 1140321813 /nfs/dbraw/zinc/32/18/13/1140321813.db2.gz VLBIVFMFGOIZGZ-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001318414688 1140321821 /nfs/dbraw/zinc/32/18/21/1140321821.db2.gz VLBIVFMFGOIZGZ-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001318414688 1140321832 /nfs/dbraw/zinc/32/18/32/1140321832.db2.gz VLBIVFMFGOIZGZ-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001318996105 1140488165 /nfs/dbraw/zinc/48/81/65/1140488165.db2.gz MMFXUPZWNSRHAP-UHFFFAOYSA-N 2 2 312.417 2.324 20 30 DEEDLP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001318996105 1140488168 /nfs/dbraw/zinc/48/81/68/1140488168.db2.gz MMFXUPZWNSRHAP-UHFFFAOYSA-N 2 2 312.417 2.324 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001319696481 1140672577 /nfs/dbraw/zinc/67/25/77/1140672577.db2.gz JYDSVSKOQCWSMN-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001319815527 1140737229 /nfs/dbraw/zinc/73/72/29/1140737229.db2.gz ATAFTQSUHIXPAK-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001324342711 1142059049 /nfs/dbraw/zinc/05/90/49/1142059049.db2.gz KCAZBFTZFGAMFI-UHFFFAOYSA-N 2 2 318.465 2.290 20 30 DEEDLP C#CC[N@@H+](C[C@H](O)C[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001253189538 1142851576 /nfs/dbraw/zinc/85/15/76/1142851576.db2.gz JXLVTJXHOMPBGG-IEBWSBKVSA-N 2 2 300.446 2.312 20 30 DEEDLP C#CC[N@H+](C[C@H](O)C[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001253189538 1142851577 /nfs/dbraw/zinc/85/15/77/1142851577.db2.gz JXLVTJXHOMPBGG-IEBWSBKVSA-N 2 2 300.446 2.312 20 30 DEEDLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001254529567 1143216400 /nfs/dbraw/zinc/21/64/00/1143216400.db2.gz NWGNQALDAQUBPP-MRXNPFEDSA-N 2 2 316.424 2.304 20 30 DEEDLP C[N@H+]1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001254529567 1143216430 /nfs/dbraw/zinc/21/64/30/1143216430.db2.gz NWGNQALDAQUBPP-MRXNPFEDSA-N 2 2 316.424 2.304 20 30 DEEDLP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857013 1143340253 /nfs/dbraw/zinc/34/02/53/1143340253.db2.gz NAZKICWORCBUOF-KRWDZBQOSA-N 2 2 317.477 2.114 20 30 DEEDLP C=C[C@@H]1C[C@@]1([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001256853522 1143870820 /nfs/dbraw/zinc/87/08/20/1143870820.db2.gz ICNKJNNQGYHLBQ-KDOFPFPSSA-N 2 2 315.417 2.148 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279005782 1143896338 /nfs/dbraw/zinc/89/63/38/1143896338.db2.gz DXKPUEOUBSVZCQ-JKSUJKDBSA-N 2 2 318.465 2.329 20 30 DEEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001279012456 1143903270 /nfs/dbraw/zinc/90/32/70/1143903270.db2.gz NLTXJFUPQHESQU-DOTOQJQBSA-N 2 2 313.445 2.470 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265684425 1144727299 /nfs/dbraw/zinc/72/72/99/1144727299.db2.gz VEOLPPHJOLCWDQ-HOTGVXAUSA-N 2 2 304.438 2.381 20 30 DEEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102300 1144805817 /nfs/dbraw/zinc/80/58/17/1144805817.db2.gz HKMJUBBUTWORFD-SJORKVTESA-N 2 2 316.449 2.026 20 30 DEEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102300 1144805818 /nfs/dbraw/zinc/80/58/18/1144805818.db2.gz HKMJUBBUTWORFD-SJORKVTESA-N 2 2 316.449 2.026 20 30 DEEDLP C#CCC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001266145043 1144809508 /nfs/dbraw/zinc/80/95/08/1144809508.db2.gz IIKKYOXPOKERRN-UHFFFAOYSA-N 2 2 310.401 2.171 20 30 DEEDLP C#CCC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001266145043 1144809510 /nfs/dbraw/zinc/80/95/10/1144809510.db2.gz IIKKYOXPOKERRN-UHFFFAOYSA-N 2 2 310.401 2.171 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001280485053 1144842241 /nfs/dbraw/zinc/84/22/41/1144842241.db2.gz ATRFGTIXYLBCAS-ZIAGYGMSSA-N 2 2 302.422 2.108 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001280485053 1144842242 /nfs/dbraw/zinc/84/22/42/1144842242.db2.gz ATRFGTIXYLBCAS-ZIAGYGMSSA-N 2 2 302.422 2.108 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001366667475 1147461077 /nfs/dbraw/zinc/46/10/77/1147461077.db2.gz AEJSXGQAAQSQFV-HNNXBMFYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001366667475 1147461087 /nfs/dbraw/zinc/46/10/87/1147461087.db2.gz AEJSXGQAAQSQFV-HNNXBMFYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001316800352 1147602507 /nfs/dbraw/zinc/60/25/07/1147602507.db2.gz FLLCGRQKIIEUCJ-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001316800352 1147602511 /nfs/dbraw/zinc/60/25/11/1147602511.db2.gz FLLCGRQKIIEUCJ-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001316944419 1147636746 /nfs/dbraw/zinc/63/67/46/1147636746.db2.gz QRJGXQJTXWPDPX-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001316944419 1147636748 /nfs/dbraw/zinc/63/67/48/1147636748.db2.gz QRJGXQJTXWPDPX-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001316944419 1147636750 /nfs/dbraw/zinc/63/67/50/1147636750.db2.gz QRJGXQJTXWPDPX-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001316944419 1147636752 /nfs/dbraw/zinc/63/67/52/1147636752.db2.gz QRJGXQJTXWPDPX-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317137938 1147664889 /nfs/dbraw/zinc/66/48/89/1147664889.db2.gz LBCIOXFWRSCWFQ-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317137938 1147664891 /nfs/dbraw/zinc/66/48/91/1147664891.db2.gz LBCIOXFWRSCWFQ-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCCC[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317243897 1147682002 /nfs/dbraw/zinc/68/20/02/1147682002.db2.gz YVQQDDVWJJPYQW-CYBMUJFWSA-N 2 2 300.406 2.317 20 30 DEEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001325421015 1147905192 /nfs/dbraw/zinc/90/51/92/1147905192.db2.gz YYYPAZQXMABIOU-KBPBESRZSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001325531608 1147936112 /nfs/dbraw/zinc/93/61/12/1147936112.db2.gz NUKZFYJIVOAGAS-ZBFHGGJFSA-N 2 2 318.465 2.187 20 30 DEEDLP C=CCCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001326591240 1148155219 /nfs/dbraw/zinc/15/52/19/1148155219.db2.gz LPZPTRIPCUGKDS-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001326847203 1148269464 /nfs/dbraw/zinc/26/94/64/1148269464.db2.gz XDOUEODPNKZPPJ-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cccc(C#N)c1 ZINC000181108938 539649821 /nfs/dbraw/zinc/64/98/21/539649821.db2.gz WXQAEXRMPYHKFM-UHFFFAOYSA-N 2 2 311.389 2.105 20 30 DEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cccc(C#N)c1 ZINC000181108938 539649825 /nfs/dbraw/zinc/64/98/25/539649825.db2.gz WXQAEXRMPYHKFM-UHFFFAOYSA-N 2 2 311.389 2.105 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171942037 198011355 /nfs/dbraw/zinc/01/13/55/198011355.db2.gz FEWHKYGJVDNNLM-UHFFFAOYSA-N 2 2 323.400 2.420 20 30 DEEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000185874024 283065580 /nfs/dbraw/zinc/06/55/80/283065580.db2.gz DEICBOMFVQUDSO-WJFTUGDTSA-N 2 2 313.445 2.294 20 30 DEEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000185874024 283065582 /nfs/dbraw/zinc/06/55/82/283065582.db2.gz DEICBOMFVQUDSO-WJFTUGDTSA-N 2 2 313.445 2.294 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959041 355395708 /nfs/dbraw/zinc/39/57/08/355395708.db2.gz YGWXYRCTGIWYNW-OAHLLOKOSA-N 2 2 323.400 2.490 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959041 355395709 /nfs/dbraw/zinc/39/57/09/355395709.db2.gz YGWXYRCTGIWYNW-OAHLLOKOSA-N 2 2 323.400 2.490 20 30 DEEDLP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCSCC1 ZINC000104154306 283260913 /nfs/dbraw/zinc/26/09/13/283260913.db2.gz KGDRWBBMPCWILY-CQSZACIVSA-N 2 2 322.478 2.170 20 30 DEEDLP Cc1nc(N2CC[NH+](CCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000595438419 358448234 /nfs/dbraw/zinc/44/82/34/358448234.db2.gz PNYDBALYYSPMTR-UHFFFAOYSA-N 2 2 307.401 2.021 20 30 DEEDLP C[NH+](CCC[N@@H+](C)C[C@H](O)CC(C)(C)C#N)Cc1ccco1 ZINC000598617414 359261789 /nfs/dbraw/zinc/26/17/89/359261789.db2.gz QLDUSLKZIKOEKN-OAHLLOKOSA-N 2 2 307.438 2.334 20 30 DEEDLP C[NH+](CCC[N@H+](C)C[C@H](O)CC(C)(C)C#N)Cc1ccco1 ZINC000598617414 359261796 /nfs/dbraw/zinc/26/17/96/359261796.db2.gz QLDUSLKZIKOEKN-OAHLLOKOSA-N 2 2 307.438 2.334 20 30 DEEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598617414 359261799 /nfs/dbraw/zinc/26/17/99/359261799.db2.gz QLDUSLKZIKOEKN-OAHLLOKOSA-N 2 2 307.438 2.334 20 30 DEEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598617414 359261805 /nfs/dbraw/zinc/26/18/05/359261805.db2.gz QLDUSLKZIKOEKN-OAHLLOKOSA-N 2 2 307.438 2.334 20 30 DEEDLP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000443966672 238132797 /nfs/dbraw/zinc/13/27/97/238132797.db2.gz LQAWULHJGVAAGR-HZPDHXFCSA-N 2 2 301.434 2.456 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000093079269 193200296 /nfs/dbraw/zinc/20/02/96/193200296.db2.gz OWSWJCUXOIOFSG-UHFFFAOYSA-N 2 2 314.414 2.346 20 30 DEEDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354800 292048642 /nfs/dbraw/zinc/04/86/42/292048642.db2.gz KIZAJPLIPRVAAL-SFHVURJKSA-N 2 2 303.450 2.329 20 30 DEEDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354800 292048643 /nfs/dbraw/zinc/04/86/43/292048643.db2.gz KIZAJPLIPRVAAL-SFHVURJKSA-N 2 2 303.450 2.329 20 30 DEEDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354800 292048644 /nfs/dbraw/zinc/04/86/44/292048644.db2.gz KIZAJPLIPRVAAL-SFHVURJKSA-N 2 2 303.450 2.329 20 30 DEEDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354800 292048645 /nfs/dbraw/zinc/04/86/45/292048645.db2.gz KIZAJPLIPRVAAL-SFHVURJKSA-N 2 2 303.450 2.329 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1F ZINC000374427060 148245916 /nfs/dbraw/zinc/24/59/16/148245916.db2.gz HAHCVRUQYTWUAA-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1F ZINC000374427060 148245918 /nfs/dbraw/zinc/24/59/18/148245918.db2.gz HAHCVRUQYTWUAA-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000162851431 402434174 /nfs/dbraw/zinc/43/41/74/402434174.db2.gz CTJRKDDOYPTWPX-UHFFFAOYSA-N 2 2 308.385 2.360 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000171740664 402617560 /nfs/dbraw/zinc/61/75/60/402617560.db2.gz SSSLJRBRDNZSMT-HNNXBMFYSA-N 2 2 317.437 2.297 20 30 DEEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920791 402719440 /nfs/dbraw/zinc/71/94/40/402719440.db2.gz RPBQDOOMPPYZBL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920791 402719443 /nfs/dbraw/zinc/71/94/43/402719443.db2.gz RPBQDOOMPPYZBL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920791 402719446 /nfs/dbraw/zinc/71/94/46/402719446.db2.gz RPBQDOOMPPYZBL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920791 402719448 /nfs/dbraw/zinc/71/94/48/402719448.db2.gz RPBQDOOMPPYZBL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP Cc1c(Cl)cnc(NCC[NH+]2CCC([NH+](C)C)CC2)c1C#N ZINC000273391565 403000400 /nfs/dbraw/zinc/00/04/00/403000400.db2.gz UYGMCQDYNPMKGO-UHFFFAOYSA-N 2 2 321.856 2.353 20 30 DEEDLP N#Cc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000277630539 403239122 /nfs/dbraw/zinc/23/91/22/403239122.db2.gz BHWKUDXVKSIBNO-UHFFFAOYSA-N 2 2 315.808 2.230 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277723012 403249569 /nfs/dbraw/zinc/24/95/69/403249569.db2.gz JFTKYRPGZKTVQJ-QGZVFWFLSA-N 2 2 316.445 2.289 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277723012 403249571 /nfs/dbraw/zinc/24/95/71/403249571.db2.gz JFTKYRPGZKTVQJ-QGZVFWFLSA-N 2 2 316.445 2.289 20 30 DEEDLP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328617949 404115645 /nfs/dbraw/zinc/11/56/45/404115645.db2.gz UQODWOHSZSPFFR-OAHLLOKOSA-N 2 2 319.453 2.091 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342143331 404397460 /nfs/dbraw/zinc/39/74/60/404397460.db2.gz SMMAAIFGGSMBKS-ZDUSSCGKSA-N 2 2 307.463 2.122 20 30 DEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404027 404648349 /nfs/dbraw/zinc/64/83/49/404648349.db2.gz OETBXCDOZXSKMX-HOTGVXAUSA-N 2 2 320.481 2.134 20 30 DEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404027 404648354 /nfs/dbraw/zinc/64/83/54/404648354.db2.gz OETBXCDOZXSKMX-HOTGVXAUSA-N 2 2 320.481 2.134 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429891 404829378 /nfs/dbraw/zinc/82/93/78/404829378.db2.gz VDHATYIIXGECBB-PKOBYXMFSA-N 2 2 313.445 2.492 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429891 404829379 /nfs/dbraw/zinc/82/93/79/404829379.db2.gz VDHATYIIXGECBB-PKOBYXMFSA-N 2 2 313.445 2.492 20 30 DEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000576645002 406832332 /nfs/dbraw/zinc/83/23/32/406832332.db2.gz QKQBWABKIQPGFP-LJQANCHMSA-N 2 2 323.444 2.235 20 30 DEEDLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331223724 226071404 /nfs/dbraw/zinc/07/14/04/226071404.db2.gz ALVDIRRPYSPTPX-ZDUSSCGKSA-N 2 2 306.410 2.053 20 30 DEEDLP N#CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000337428570 226135614 /nfs/dbraw/zinc/13/56/14/226135614.db2.gz AGIXMBFZJZEILJ-LJQANCHMSA-N 2 2 313.445 2.297 20 30 DEEDLP N#CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000337428570 226135621 /nfs/dbraw/zinc/13/56/21/226135621.db2.gz AGIXMBFZJZEILJ-LJQANCHMSA-N 2 2 313.445 2.297 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313918 424906629 /nfs/dbraw/zinc/90/66/29/424906629.db2.gz HITFFJHNGHQLAM-APWZRJJASA-N 2 2 312.461 2.016 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313918 424906631 /nfs/dbraw/zinc/90/66/31/424906631.db2.gz HITFFJHNGHQLAM-APWZRJJASA-N 2 2 312.461 2.016 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000651695018 425143641 /nfs/dbraw/zinc/14/36/41/425143641.db2.gz YSAMYSNVONZKAW-BRWVUGGUSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000651695018 425143642 /nfs/dbraw/zinc/14/36/42/425143642.db2.gz YSAMYSNVONZKAW-BRWVUGGUSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000653586775 425185429 /nfs/dbraw/zinc/18/54/29/425185429.db2.gz ANFFPJZBOOFCAQ-YJBOKZPZSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000653586775 425185433 /nfs/dbraw/zinc/18/54/33/425185433.db2.gz ANFFPJZBOOFCAQ-YJBOKZPZSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000653586775 425185436 /nfs/dbraw/zinc/18/54/36/425185436.db2.gz ANFFPJZBOOFCAQ-YJBOKZPZSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000653586775 425185440 /nfs/dbraw/zinc/18/54/40/425185440.db2.gz ANFFPJZBOOFCAQ-YJBOKZPZSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nn1 ZINC000657362336 425315821 /nfs/dbraw/zinc/31/58/21/425315821.db2.gz AAJWNHUCUWBUTF-UHFFFAOYSA-N 2 2 317.412 2.345 20 30 DEEDLP CC[C@@H]1CN(C(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)CCS1 ZINC000261965543 280339849 /nfs/dbraw/zinc/33/98/49/280339849.db2.gz PWPJJASHLYXGFZ-CQSZACIVSA-N 2 2 321.494 2.122 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001423615012 1173448869 /nfs/dbraw/zinc/44/88/69/1173448869.db2.gz LGTPQAXIYKVQOG-ZDUSSCGKSA-N 2 2 312.845 2.134 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000559636291 332274718 /nfs/dbraw/zinc/27/47/18/332274718.db2.gz JNIRPEFUXFUCRA-OAHLLOKOSA-N 2 2 302.422 2.310 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000559636291 332274720 /nfs/dbraw/zinc/27/47/20/332274720.db2.gz JNIRPEFUXFUCRA-OAHLLOKOSA-N 2 2 302.422 2.310 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001378228300 1152236018 /nfs/dbraw/zinc/23/60/18/1152236018.db2.gz HXDNULMYOJCCBQ-GOEBONIOSA-N 2 2 323.868 2.478 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001378228300 1152236021 /nfs/dbraw/zinc/23/60/21/1152236021.db2.gz HXDNULMYOJCCBQ-GOEBONIOSA-N 2 2 323.868 2.478 20 30 DEEDLP C#CCC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001329847908 1149003269 /nfs/dbraw/zinc/00/32/69/1149003269.db2.gz FCXIAQUMXINDTC-MRXNPFEDSA-N 2 2 316.449 2.266 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001398752063 1161089509 /nfs/dbraw/zinc/08/95/09/1161089509.db2.gz JKMBHSWCQVJFNX-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001398752063 1161089519 /nfs/dbraw/zinc/08/95/19/1161089519.db2.gz JKMBHSWCQVJFNX-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001437600056 1179860603 /nfs/dbraw/zinc/86/06/03/1179860603.db2.gz ZWGUGHUQNFKGDY-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001437600056 1179860604 /nfs/dbraw/zinc/86/06/04/1179860604.db2.gz ZWGUGHUQNFKGDY-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CCCC1 ZINC000263115767 526359163 /nfs/dbraw/zinc/35/91/63/526359163.db2.gz FRLWAILUOQJQHF-UHFFFAOYSA-N 2 2 306.479 2.214 20 30 DEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CCCC1 ZINC000263115767 526359169 /nfs/dbraw/zinc/35/91/69/526359169.db2.gz FRLWAILUOQJQHF-UHFFFAOYSA-N 2 2 306.479 2.214 20 30 DEEDLP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246288008 526656202 /nfs/dbraw/zinc/65/62/02/526656202.db2.gz CBZDTNPKUTZQHW-FUHWJXTLSA-N 2 2 303.450 2.474 20 30 DEEDLP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246288008 526656208 /nfs/dbraw/zinc/65/62/08/526656208.db2.gz CBZDTNPKUTZQHW-FUHWJXTLSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422912920 526950570 /nfs/dbraw/zinc/95/05/70/526950570.db2.gz XKDYRZKAODZYJR-MSOLQXFVSA-N 2 2 302.418 2.108 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374996641 527268500 /nfs/dbraw/zinc/26/85/00/527268500.db2.gz HWGVNDOVIHSNMV-CVEARBPZSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374996641 527268508 /nfs/dbraw/zinc/26/85/08/527268508.db2.gz HWGVNDOVIHSNMV-CVEARBPZSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245589776 527635472 /nfs/dbraw/zinc/63/54/72/527635472.db2.gz KKEPMLANDZVWEQ-YESZJQIVSA-N 2 2 316.449 2.355 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245589776 527635476 /nfs/dbraw/zinc/63/54/76/527635476.db2.gz KKEPMLANDZVWEQ-YESZJQIVSA-N 2 2 316.449 2.355 20 30 DEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)c1ccsc1 ZINC000264131906 528269747 /nfs/dbraw/zinc/26/97/47/528269747.db2.gz YEJHFKWRHNSTMK-GXTWGEPZSA-N 2 2 312.483 2.070 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256720 625311736 /nfs/dbraw/zinc/31/17/36/625311736.db2.gz ZOTDRGVHWRYUAD-DLBZAZTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256720 625311740 /nfs/dbraw/zinc/31/17/40/625311740.db2.gz ZOTDRGVHWRYUAD-DLBZAZTESA-N 2 2 316.449 2.305 20 30 DEEDLP C#CC[NH2+]C1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001026587025 625544811 /nfs/dbraw/zinc/54/48/11/625544811.db2.gz IZLRDYZCCKVOGT-UHFFFAOYSA-N 2 2 322.412 2.136 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970408663 623443840 /nfs/dbraw/zinc/44/38/40/623443840.db2.gz ZEOYMMWUTHCRHF-ZFWWWQNUSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700264 623984084 /nfs/dbraw/zinc/98/40/84/623984084.db2.gz PBSXJEQMNOQZJO-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700264 623984088 /nfs/dbraw/zinc/98/40/88/623984088.db2.gz PBSXJEQMNOQZJO-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]12 ZINC001026296267 625274049 /nfs/dbraw/zinc/27/40/49/625274049.db2.gz VKSHSBVUSXVEIF-XNRPHZJLSA-N 2 2 310.401 2.189 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000999486826 634618499 /nfs/dbraw/zinc/61/84/99/634618499.db2.gz WFOVYSVLCIBQEU-CQSZACIVSA-N 2 2 324.856 2.260 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027573447 634174333 /nfs/dbraw/zinc/17/43/33/634174333.db2.gz FTEKJVIAMCYMMK-HUUCEWRRSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027573447 634174335 /nfs/dbraw/zinc/17/43/35/634174335.db2.gz FTEKJVIAMCYMMK-HUUCEWRRSA-N 2 2 316.449 2.329 20 30 DEEDLP CSc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000925772902 634987205 /nfs/dbraw/zinc/98/72/05/634987205.db2.gz LERPZFPTEUJLNN-RDJZCZTQSA-N 2 2 317.458 2.137 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027944337 635031710 /nfs/dbraw/zinc/03/17/10/635031710.db2.gz VMEWECWUXVIWFV-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027944337 635031716 /nfs/dbraw/zinc/03/17/16/635031716.db2.gz VMEWECWUXVIWFV-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001027944337 635031722 /nfs/dbraw/zinc/03/17/22/635031722.db2.gz VMEWECWUXVIWFV-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001027944337 635031725 /nfs/dbraw/zinc/03/17/25/635031725.db2.gz VMEWECWUXVIWFV-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C=CCC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001002815061 635808335 /nfs/dbraw/zinc/80/83/35/635808335.db2.gz KDZZCWGVBYDODI-UHFFFAOYSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001006021072 637086047 /nfs/dbraw/zinc/08/60/47/637086047.db2.gz XIKZGQYALVOWQC-HZPDHXFCSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CC[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000757695245 639870522 /nfs/dbraw/zinc/87/05/22/639870522.db2.gz GPVVCXIPGGDYHN-INIZCTEOSA-N 2 2 303.450 2.248 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000986541498 639924187 /nfs/dbraw/zinc/92/41/87/639924187.db2.gz AQHJIQNBAQARMX-QWHCGFSZSA-N 2 2 318.808 2.279 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000986608670 639953144 /nfs/dbraw/zinc/95/31/44/639953144.db2.gz JADQOFNXRFLHMK-PBHICJAKSA-N 2 2 310.401 2.251 20 30 DEEDLP C#CC[NH+](CC#C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000769440949 641239817 /nfs/dbraw/zinc/23/98/17/641239817.db2.gz CYFSUNVDQAODSR-UHFFFAOYSA-N 2 2 309.457 2.287 20 30 DEEDLP CCO[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000926958877 641538064 /nfs/dbraw/zinc/53/80/64/641538064.db2.gz HXIDSRXMHRHKCY-SJLPKXTDSA-N 2 2 301.434 2.492 20 30 DEEDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(C#N)ccn1 ZINC000902809459 643153718 /nfs/dbraw/zinc/15/37/18/643153718.db2.gz TVBQANWKPOPVNF-ZBFHGGJFSA-N 2 2 314.433 2.105 20 30 DEEDLP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)nn1 ZINC000903812148 643470575 /nfs/dbraw/zinc/47/05/75/643470575.db2.gz QXECMRMCLLPQJQ-MRXNPFEDSA-N 2 2 303.454 2.338 20 30 DEEDLP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)nn1 ZINC000903812148 643470578 /nfs/dbraw/zinc/47/05/78/643470578.db2.gz QXECMRMCLLPQJQ-MRXNPFEDSA-N 2 2 303.454 2.338 20 30 DEEDLP C=CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974918 643532029 /nfs/dbraw/zinc/53/20/29/643532029.db2.gz VMZOPPJACXXGEX-QGZVFWFLSA-N 2 2 316.445 2.500 20 30 DEEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000912508912 646090814 /nfs/dbraw/zinc/09/08/14/646090814.db2.gz SYXKQDPMZKHHHK-HNNXBMFYSA-N 2 2 321.469 2.176 20 30 DEEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000809577053 646239261 /nfs/dbraw/zinc/23/92/61/646239261.db2.gz KJJNGRLTNWDZKW-CGTJXYLNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000809577053 646239264 /nfs/dbraw/zinc/23/92/64/646239264.db2.gz KJJNGRLTNWDZKW-CGTJXYLNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577053 646239267 /nfs/dbraw/zinc/23/92/67/646239267.db2.gz KJJNGRLTNWDZKW-CGTJXYLNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577053 646239270 /nfs/dbraw/zinc/23/92/70/646239270.db2.gz KJJNGRLTNWDZKW-CGTJXYLNSA-N 2 2 301.434 2.246 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000809605136 646245519 /nfs/dbraw/zinc/24/55/19/646245519.db2.gz BGAGZWTVIYCNAU-OAQYLSRUSA-N 2 2 320.436 2.177 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000809605136 646245523 /nfs/dbraw/zinc/24/55/23/646245523.db2.gz BGAGZWTVIYCNAU-OAQYLSRUSA-N 2 2 320.436 2.177 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000813421528 646769090 /nfs/dbraw/zinc/76/90/90/646769090.db2.gz HRJPJYZQZCXPRW-GFCCVEGCSA-N 2 2 322.478 2.431 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000813421528 646769094 /nfs/dbraw/zinc/76/90/94/646769094.db2.gz HRJPJYZQZCXPRW-GFCCVEGCSA-N 2 2 322.478 2.431 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992432238 646998293 /nfs/dbraw/zinc/99/82/93/646998293.db2.gz PYICTJJDCUFTCC-AEFFLSMTSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992432238 646998297 /nfs/dbraw/zinc/99/82/97/646998297.db2.gz PYICTJJDCUFTCC-AEFFLSMTSA-N 2 2 316.449 2.042 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993699829 647734152 /nfs/dbraw/zinc/73/41/52/647734152.db2.gz ATBCNWSBDSPXNP-ZFWWWQNUSA-N 2 2 305.422 2.110 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993764917 647743517 /nfs/dbraw/zinc/74/35/17/647743517.db2.gz UZAFWHFZMGVGHH-ZFWWWQNUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993764917 647743519 /nfs/dbraw/zinc/74/35/19/647743519.db2.gz UZAFWHFZMGVGHH-ZFWWWQNUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000917069527 647963273 /nfs/dbraw/zinc/96/32/73/647963273.db2.gz RLGXNNKGSAPZOO-UHFFFAOYSA-N 2 2 315.461 2.227 20 30 DEEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000917069527 647963274 /nfs/dbraw/zinc/96/32/74/647963274.db2.gz RLGXNNKGSAPZOO-UHFFFAOYSA-N 2 2 315.461 2.227 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823920168 648499941 /nfs/dbraw/zinc/49/99/41/648499941.db2.gz ZBCGPMGVFQPTRH-CYBMUJFWSA-N 2 2 312.421 2.168 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839050 648954053 /nfs/dbraw/zinc/95/40/53/648954053.db2.gz LLVDZLCZMFUMLM-KRWDZBQOSA-N 2 2 324.428 2.417 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839050 648954057 /nfs/dbraw/zinc/95/40/57/648954057.db2.gz LLVDZLCZMFUMLM-KRWDZBQOSA-N 2 2 324.428 2.417 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940887051 648962190 /nfs/dbraw/zinc/96/21/90/648962190.db2.gz XFFKSGJDYNBMQG-HNNXBMFYSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940887051 648962193 /nfs/dbraw/zinc/96/21/93/648962193.db2.gz XFFKSGJDYNBMQG-HNNXBMFYSA-N 2 2 312.417 2.351 20 30 DEEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000850119319 651834156 /nfs/dbraw/zinc/83/41/56/651834156.db2.gz NFOKUMSTUONCPY-ROUUACIJSA-N 2 2 311.429 2.195 20 30 DEEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000850119319 651834159 /nfs/dbraw/zinc/83/41/59/651834159.db2.gz NFOKUMSTUONCPY-ROUUACIJSA-N 2 2 311.429 2.195 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124541 693854283 /nfs/dbraw/zinc/85/42/83/693854283.db2.gz UCBUSPZFQCENAM-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124541 693854285 /nfs/dbraw/zinc/85/42/85/693854285.db2.gz UCBUSPZFQCENAM-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164689 693867491 /nfs/dbraw/zinc/86/74/91/693867491.db2.gz PMINQPDIRWVIRH-IBGZPJMESA-N 2 2 324.428 2.448 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164689 693867495 /nfs/dbraw/zinc/86/74/95/693867495.db2.gz PMINQPDIRWVIRH-IBGZPJMESA-N 2 2 324.428 2.448 20 30 DEEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929659003 693999087 /nfs/dbraw/zinc/99/90/87/693999087.db2.gz XNRSAESTKCTILX-UHFFFAOYSA-N 2 2 315.461 2.454 20 30 DEEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929659003 693999089 /nfs/dbraw/zinc/99/90/89/693999089.db2.gz XNRSAESTKCTILX-UHFFFAOYSA-N 2 2 315.461 2.454 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001054653647 694016139 /nfs/dbraw/zinc/01/61/39/694016139.db2.gz BYXFWFJMFOCBDS-XJKSGUPXSA-N 2 2 312.417 2.269 20 30 DEEDLP C#CCCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865491007 687232926 /nfs/dbraw/zinc/23/29/26/687232926.db2.gz JJVGQVVHQFXIQO-UHFFFAOYSA-N 2 2 316.445 2.291 20 30 DEEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872234932 688959911 /nfs/dbraw/zinc/95/99/11/688959911.db2.gz ALCIJOTZUQHILQ-DLBZAZTESA-N 2 2 305.466 2.428 20 30 DEEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872234932 688959913 /nfs/dbraw/zinc/95/99/13/688959913.db2.gz ALCIJOTZUQHILQ-DLBZAZTESA-N 2 2 305.466 2.428 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079187 689378689 /nfs/dbraw/zinc/37/86/89/689378689.db2.gz UHWNQGBNNVATCK-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079187 689378692 /nfs/dbraw/zinc/37/86/92/689378692.db2.gz UHWNQGBNNVATCK-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034251692 689781797 /nfs/dbraw/zinc/78/17/97/689781797.db2.gz AATMIMAHESDFNQ-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034251692 689781799 /nfs/dbraw/zinc/78/17/99/689781799.db2.gz AATMIMAHESDFNQ-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034251692 689781800 /nfs/dbraw/zinc/78/18/00/689781800.db2.gz AATMIMAHESDFNQ-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034251692 689781802 /nfs/dbraw/zinc/78/18/02/689781802.db2.gz AATMIMAHESDFNQ-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397320 689836335 /nfs/dbraw/zinc/83/63/35/689836335.db2.gz KGZPVXCQKVCZPT-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397320 689836336 /nfs/dbraw/zinc/83/63/36/689836336.db2.gz KGZPVXCQKVCZPT-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397320 689836337 /nfs/dbraw/zinc/83/63/37/689836337.db2.gz KGZPVXCQKVCZPT-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397320 689836338 /nfs/dbraw/zinc/83/63/38/689836338.db2.gz KGZPVXCQKVCZPT-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034504257 689876411 /nfs/dbraw/zinc/87/64/11/689876411.db2.gz YIXBZOOULGMQFL-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034504257 689876415 /nfs/dbraw/zinc/87/64/15/689876415.db2.gz YIXBZOOULGMQFL-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001034678905 689924949 /nfs/dbraw/zinc/92/49/49/689924949.db2.gz RJWGTDYPGLPLGN-BZUAXINKSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035747771 690167198 /nfs/dbraw/zinc/16/71/98/690167198.db2.gz CMOUIPSXSGAHNZ-UHFFFAOYSA-N 2 2 310.401 2.058 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036733331 690450481 /nfs/dbraw/zinc/45/04/81/690450481.db2.gz AFTHYFGQBKNKOP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036733331 690450482 /nfs/dbraw/zinc/45/04/82/690450482.db2.gz AFTHYFGQBKNKOP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036733331 690450483 /nfs/dbraw/zinc/45/04/83/690450483.db2.gz AFTHYFGQBKNKOP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036733331 690450484 /nfs/dbraw/zinc/45/04/84/690450484.db2.gz AFTHYFGQBKNKOP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001037872947 690629091 /nfs/dbraw/zinc/62/90/91/690629091.db2.gz UJRIRYRONSVSRW-HOTGVXAUSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039415472 691101281 /nfs/dbraw/zinc/10/12/81/691101281.db2.gz XETPRRKGCXEIJT-SJORKVTESA-N 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/nfs/dbraw/zinc/70/06/00/778700600.db2.gz YTKMHVGLHRYVKT-HNNXBMFYSA-N 2 2 313.873 2.148 20 30 DEEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947879134 783254528 /nfs/dbraw/zinc/25/45/28/783254528.db2.gz WMLXORDSKFJLOI-WBVHZDCISA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947879134 783254538 /nfs/dbraw/zinc/25/45/38/783254538.db2.gz WMLXORDSKFJLOI-WBVHZDCISA-N 2 2 322.412 2.088 20 30 DEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001171192806 790927763 /nfs/dbraw/zinc/92/77/63/790927763.db2.gz BKTTWXFQISXGNL-QAPCUYQASA-N 2 2 313.445 2.332 20 30 DEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001171192806 790927770 /nfs/dbraw/zinc/92/77/70/790927770.db2.gz BKTTWXFQISXGNL-QAPCUYQASA-N 2 2 313.445 2.332 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000948474556 783479111 /nfs/dbraw/zinc/47/91/11/783479111.db2.gz WARNYIQYMBGVDY-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000948474556 783479115 /nfs/dbraw/zinc/47/91/15/783479115.db2.gz WARNYIQYMBGVDY-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937194 783525998 /nfs/dbraw/zinc/52/59/98/783525998.db2.gz NJNHGCXUCIJJGQ-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948611916 783527182 /nfs/dbraw/zinc/52/71/82/783527182.db2.gz HCTIYIAXOPEVNG-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948611916 783527190 /nfs/dbraw/zinc/52/71/90/783527190.db2.gz HCTIYIAXOPEVNG-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916424 783819783 /nfs/dbraw/zinc/81/97/83/783819783.db2.gz SSVRMPVMKFZURU-GUYCJALGSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916424 783819787 /nfs/dbraw/zinc/81/97/87/783819787.db2.gz SSVRMPVMKFZURU-GUYCJALGSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671343 785481419 /nfs/dbraw/zinc/48/14/19/785481419.db2.gz NDIKBHUPRQQMEA-JYJNAYRXSA-N 2 2 316.449 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014425559 786579716 /nfs/dbraw/zinc/57/97/16/786579716.db2.gz QCWNNQISLLWAGG-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014425559 786579723 /nfs/dbraw/zinc/57/97/23/786579723.db2.gz QCWNNQISLLWAGG-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596849 787127582 /nfs/dbraw/zinc/12/75/82/787127582.db2.gz IKUXQQNEEOOJPS-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015596849 787127592 /nfs/dbraw/zinc/12/75/92/787127592.db2.gz IKUXQQNEEOOJPS-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015596849 787127599 /nfs/dbraw/zinc/12/75/99/787127599.db2.gz IKUXQQNEEOOJPS-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015596849 787127607 /nfs/dbraw/zinc/12/76/07/787127607.db2.gz IKUXQQNEEOOJPS-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491220 787405741 /nfs/dbraw/zinc/40/57/41/787405741.db2.gz NXMRADTUGLHHBN-HNNXBMFYSA-N 2 2 320.481 2.499 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491220 787405745 /nfs/dbraw/zinc/40/57/45/787405745.db2.gz NXMRADTUGLHHBN-HNNXBMFYSA-N 2 2 320.481 2.499 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242832 788330544 /nfs/dbraw/zinc/33/05/44/788330544.db2.gz YBGUMYRKFKBCRJ-CABCVRRESA-N 2 2 318.465 2.338 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045911 788734628 /nfs/dbraw/zinc/73/46/28/788734628.db2.gz RAEJSBMWOOOCAG-HUUCEWRRSA-N 2 2 306.454 2.200 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135309984 789284446 /nfs/dbraw/zinc/28/44/46/789284446.db2.gz QMXQJZCHTUEEOB-HNNXBMFYSA-N 2 2 314.433 2.246 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609958 789813320 /nfs/dbraw/zinc/81/33/20/789813320.db2.gz PHXBTPUFEASONV-ZFWWWQNUSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609958 789813325 /nfs/dbraw/zinc/81/33/25/789813325.db2.gz PHXBTPUFEASONV-ZFWWWQNUSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357382 791740786 /nfs/dbraw/zinc/74/07/86/791740786.db2.gz LUNNOOIZYJPCOY-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357382 791740791 /nfs/dbraw/zinc/74/07/91/791740791.db2.gz LUNNOOIZYJPCOY-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171605059 793146725 /nfs/dbraw/zinc/14/67/25/793146725.db2.gz MIUUXRIVFZLTSJ-HOTGVXAUSA-N 2 2 318.465 2.286 20 30 DEEDLP C[C@@H](CCCC#N)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498545 793439362 /nfs/dbraw/zinc/43/93/62/793439362.db2.gz MGRRYMJXXLTZEF-CGTJXYLNSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@@H](CCCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498545 793439363 /nfs/dbraw/zinc/43/93/63/793439363.db2.gz MGRRYMJXXLTZEF-CGTJXYLNSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@@H](CCCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498545 793439367 /nfs/dbraw/zinc/43/93/67/793439367.db2.gz MGRRYMJXXLTZEF-CGTJXYLNSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@@H](CCCC#N)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498545 793439373 /nfs/dbraw/zinc/43/93/73/793439373.db2.gz MGRRYMJXXLTZEF-CGTJXYLNSA-N 2 2 315.465 2.256 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001094946556 793505240 /nfs/dbraw/zinc/50/52/40/793505240.db2.gz MTDPALMLXGHIQL-QEJZJMRPSA-N 2 2 310.401 2.332 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479133 794108318 /nfs/dbraw/zinc/10/83/18/794108318.db2.gz HBMFNNWIBOFFBS-OWCLPIDISA-N 2 2 304.438 2.094 20 30 DEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479133 794108324 /nfs/dbraw/zinc/10/83/24/794108324.db2.gz HBMFNNWIBOFFBS-OWCLPIDISA-N 2 2 304.438 2.094 20 30 DEEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177468716 794672836 /nfs/dbraw/zinc/67/28/36/794672836.db2.gz IWIAUVUORUPLOT-UHFFFAOYSA-N 2 2 318.465 2.445 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115602868 794837094 /nfs/dbraw/zinc/83/70/94/794837094.db2.gz GWDDOIWDSWMHNX-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811111 795003041 /nfs/dbraw/zinc/00/30/41/795003041.db2.gz RBGOKNQMBWAWMC-UHFFFAOYSA-N 2 2 305.422 2.085 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179006463 795048160 /nfs/dbraw/zinc/04/81/60/795048160.db2.gz NCNLJTUXSHKUAL-UHFFFAOYSA-N 2 2 300.406 2.400 20 30 DEEDLP C=CCO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001117990378 795135331 /nfs/dbraw/zinc/13/53/31/795135331.db2.gz XYBDYJJNXSBLNT-LJQANCHMSA-N 2 2 316.445 2.296 20 30 DEEDLP C=CCO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001117990378 795135337 /nfs/dbraw/zinc/13/53/37/795135337.db2.gz XYBDYJJNXSBLNT-LJQANCHMSA-N 2 2 316.445 2.296 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179558099 795137782 /nfs/dbraw/zinc/13/77/82/795137782.db2.gz XRUPJGUZRAGKDY-JJXSEGSLSA-N 2 2 316.449 2.069 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179691975 795153843 /nfs/dbraw/zinc/15/38/43/795153843.db2.gz HOHVPLDVHJGPDX-DZKIICNBSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179691975 795153846 /nfs/dbraw/zinc/15/38/46/795153846.db2.gz HOHVPLDVHJGPDX-DZKIICNBSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783079 795168299 /nfs/dbraw/zinc/16/82/99/795168299.db2.gz BJXDQVGDYAYGBK-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180275772 795264056 /nfs/dbraw/zinc/26/40/56/795264056.db2.gz KGGLNWWAMWDGKO-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181904939 795559656 /nfs/dbraw/zinc/55/96/56/795559656.db2.gz XWIAYBGQXNDJEZ-AUUYWEPGSA-N 2 2 324.428 2.274 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575122 795894207 /nfs/dbraw/zinc/89/42/07/795894207.db2.gz FCQZIWIQIRLQRX-SJLPKXTDSA-N 2 2 318.465 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2 304.438 2.137 20 30 DEEDLP C=CCCC1(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC001353467662 1151832498 /nfs/dbraw/zinc/83/24/98/1151832498.db2.gz PFMOAPJCNCUREP-UHFFFAOYSA-N 2 2 322.497 2.235 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000181389349 199289070 /nfs/dbraw/zinc/28/90/70/199289070.db2.gz URUHGXNJHYNRHY-UHFFFAOYSA-N 3 2 323.444 2.399 20 30 DEEDLP N#Cc1ccc(CN2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000181389349 199289072 /nfs/dbraw/zinc/28/90/72/199289072.db2.gz URUHGXNJHYNRHY-UHFFFAOYSA-N 2 2 323.444 2.399 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000329842325 404468846 /nfs/dbraw/zinc/46/88/46/404468846.db2.gz NULRWIDWUAEEEN-STQMWFEESA-N 2 2 301.394 2.213 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000329842325 404468855 /nfs/dbraw/zinc/46/88/55/404468855.db2.gz NULRWIDWUAEEEN-STQMWFEESA-N 2 2 301.394 2.213 20 30 DEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595512177 358470969 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DEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)C(C)C ZINC000674711141 541238989 /nfs/dbraw/zinc/23/89/89/541238989.db2.gz QGSUDWNKRBILMW-IAGOWNOFSA-N 2 2 317.481 2.213 20 30 DEEDLP FC(F)(F)Oc1ccc(C#CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000676557344 541469481 /nfs/dbraw/zinc/46/94/81/541469481.db2.gz SEVWIXCZODHLRK-KBPBESRZSA-N 2 2 310.319 2.088 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792461 194284885 /nfs/dbraw/zinc/28/48/85/194284885.db2.gz QVQMSFPQWAFYPI-UHFFFAOYSA-N 2 2 323.400 2.420 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134908857 401919603 /nfs/dbraw/zinc/91/96/03/401919603.db2.gz JOMWOCZONGBPFD-SJLPKXTDSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134908857 401919606 /nfs/dbraw/zinc/91/96/06/401919606.db2.gz JOMWOCZONGBPFD-SJLPKXTDSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134908857 401919608 /nfs/dbraw/zinc/91/96/08/401919608.db2.gz JOMWOCZONGBPFD-SJLPKXTDSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134908857 401919612 /nfs/dbraw/zinc/91/96/12/401919612.db2.gz JOMWOCZONGBPFD-SJLPKXTDSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000267041345 403010434 /nfs/dbraw/zinc/01/04/34/403010434.db2.gz DFKYVPZBDZYJFH-DLBZAZTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000267041345 403010436 /nfs/dbraw/zinc/01/04/36/403010436.db2.gz DFKYVPZBDZYJFH-DLBZAZTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000267041345 403010439 /nfs/dbraw/zinc/01/04/39/403010439.db2.gz DFKYVPZBDZYJFH-DLBZAZTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000267041345 403010440 /nfs/dbraw/zinc/01/04/40/403010440.db2.gz DFKYVPZBDZYJFH-DLBZAZTESA-N 2 2 307.482 2.239 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000332040148 403468184 /nfs/dbraw/zinc/46/81/84/403468184.db2.gz KMPPXTVOGGUWSK-LISAXSMJSA-N 2 2 315.465 2.475 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC[N@H+]1C ZINC000332040148 403468188 /nfs/dbraw/zinc/46/81/88/403468188.db2.gz KMPPXTVOGGUWSK-LISAXSMJSA-N 2 2 315.465 2.475 20 30 DEEDLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)ccc1C#N ZINC000332404459 403572799 /nfs/dbraw/zinc/57/27/99/403572799.db2.gz WOLWNWYONGMKSU-UHFFFAOYSA-N 2 2 307.401 2.287 20 30 DEEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000288968279 403801174 /nfs/dbraw/zinc/80/11/74/403801174.db2.gz BKXYUBOAFXCBSU-UHFFFAOYSA-N 2 2 321.428 2.412 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000328782511 404149121 /nfs/dbraw/zinc/14/91/21/404149121.db2.gz NFJRVQTUQZRJCT-HIFRSBDPSA-N 2 2 318.421 2.225 20 30 DEEDLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328933621 404177375 /nfs/dbraw/zinc/17/73/75/404177375.db2.gz PTGCRNWFNUHWFI-AWEZNQCLSA-N 2 2 302.422 2.276 20 30 DEEDLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000329009470 404199571 /nfs/dbraw/zinc/19/95/71/404199571.db2.gz DDMZXEIBELHIDW-KBPBESRZSA-N 2 2 315.421 2.163 20 30 DEEDLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000329009470 404199575 /nfs/dbraw/zinc/19/95/75/404199575.db2.gz DDMZXEIBELHIDW-KBPBESRZSA-N 2 2 315.421 2.163 20 30 DEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351389319 404572973 /nfs/dbraw/zinc/57/29/73/404572973.db2.gz UGCABXANHMIGBP-GOSISDBHSA-N 2 2 301.434 2.225 20 30 DEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351389319 404572978 /nfs/dbraw/zinc/57/29/78/404572978.db2.gz UGCABXANHMIGBP-GOSISDBHSA-N 2 2 301.434 2.225 20 30 DEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351389319 404572987 /nfs/dbraw/zinc/57/29/87/404572987.db2.gz UGCABXANHMIGBP-GOSISDBHSA-N 2 2 301.434 2.225 20 30 DEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351389319 404572998 /nfs/dbraw/zinc/57/29/98/404572998.db2.gz UGCABXANHMIGBP-GOSISDBHSA-N 2 2 301.434 2.225 20 30 DEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cccc(F)c3C#N)C2)CC1 ZINC000361034173 404887827 /nfs/dbraw/zinc/88/78/27/404887827.db2.gz KZCVPXINIIMTON-CYBMUJFWSA-N 2 2 302.397 2.278 20 30 DEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cccc(F)c3C#N)C2)CC1 ZINC000361034173 404887831 /nfs/dbraw/zinc/88/78/31/404887831.db2.gz KZCVPXINIIMTON-CYBMUJFWSA-N 2 2 302.397 2.278 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430956691 405544884 /nfs/dbraw/zinc/54/48/84/405544884.db2.gz PSOUOWSXHJKFII-ZDUSSCGKSA-N 2 2 305.447 2.184 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430956691 405544889 /nfs/dbraw/zinc/54/48/89/405544889.db2.gz PSOUOWSXHJKFII-ZDUSSCGKSA-N 2 2 305.447 2.184 20 30 DEEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)O ZINC000449542386 405606298 /nfs/dbraw/zinc/60/62/98/405606298.db2.gz MJIFQBPXTPARRW-KSSFIOAISA-N 2 2 301.434 2.272 20 30 DEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000566426754 406088615 /nfs/dbraw/zinc/08/86/15/406088615.db2.gz WMMUKMIHIKJNPN-INIZCTEOSA-N 2 2 313.445 2.438 20 30 DEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000566426754 406088619 /nfs/dbraw/zinc/08/86/19/406088619.db2.gz WMMUKMIHIKJNPN-INIZCTEOSA-N 2 2 313.445 2.438 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000517665792 406126585 /nfs/dbraw/zinc/12/65/85/406126585.db2.gz IIXGNLSCEMKVOV-CQSZACIVSA-N 2 2 316.449 2.090 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576465 406223298 /nfs/dbraw/zinc/22/32/98/406223298.db2.gz XJWWZTWVVOAVEC-UHFFFAOYSA-N 2 2 316.449 2.383 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)c1 ZINC000264077702 225300399 /nfs/dbraw/zinc/30/03/99/225300399.db2.gz HSVSLAHAMDULGT-INIZCTEOSA-N 2 2 306.454 2.248 20 30 DEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCSCc1ccccc1C#N ZINC000422988312 230307641 /nfs/dbraw/zinc/30/76/41/230307641.db2.gz KJCSBIIMLMPRSN-RHSMWYFYSA-N 2 2 319.474 2.148 20 30 DEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)CC[NH+](C)C)C2 ZINC000330703321 528324549 /nfs/dbraw/zinc/32/45/49/528324549.db2.gz IYQIRYMMUHQLGG-ZDUSSCGKSA-N 2 2 321.469 2.156 20 30 DEEDLP CC(C)Cc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262253054 528654246 /nfs/dbraw/zinc/65/42/46/528654246.db2.gz DFXKUCAKXZRHDU-WMLDXEAASA-N 2 2 302.466 2.425 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379216623 1152591286 /nfs/dbraw/zinc/59/12/86/1152591286.db2.gz ABDWYIZBPNVTLJ-NSHDSACASA-N 2 2 306.797 2.366 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459764 625453005 /nfs/dbraw/zinc/45/30/05/625453005.db2.gz SCSTWWXELZIKQJ-KGLIPLIRSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459764 625453007 /nfs/dbraw/zinc/45/30/07/625453007.db2.gz SCSTWWXELZIKQJ-KGLIPLIRSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575936 623779611 /nfs/dbraw/zinc/77/96/11/623779611.db2.gz PFRCHBKHHFQJIA-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575936 623779614 /nfs/dbraw/zinc/77/96/14/623779614.db2.gz PFRCHBKHHFQJIA-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603697 623818635 /nfs/dbraw/zinc/81/86/35/623818635.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603697 623818647 /nfs/dbraw/zinc/81/86/47/623818647.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603697 623818657 /nfs/dbraw/zinc/81/86/57/623818657.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603697 623818666 /nfs/dbraw/zinc/81/86/66/623818666.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632631 623862781 /nfs/dbraw/zinc/86/27/81/623862781.db2.gz LRJXICQZYWJRPX-HZPDHXFCSA-N 2 2 324.428 2.447 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632631 623862791 /nfs/dbraw/zinc/86/27/91/623862791.db2.gz LRJXICQZYWJRPX-HZPDHXFCSA-N 2 2 324.428 2.447 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023427640 625263377 /nfs/dbraw/zinc/26/33/77/625263377.db2.gz OGKLXRYMTSLHOJ-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023427640 625263387 /nfs/dbraw/zinc/26/33/87/625263387.db2.gz OGKLXRYMTSLHOJ-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023427640 625263392 /nfs/dbraw/zinc/26/33/92/625263392.db2.gz OGKLXRYMTSLHOJ-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023427640 625263397 /nfs/dbraw/zinc/26/33/97/625263397.db2.gz OGKLXRYMTSLHOJ-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439743 625775315 /nfs/dbraw/zinc/77/53/15/625775315.db2.gz GAQFFXHXVPTGNY-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439743 625775318 /nfs/dbraw/zinc/77/53/18/625775318.db2.gz GAQFFXHXVPTGNY-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000931348698 633133648 /nfs/dbraw/zinc/13/36/48/633133648.db2.gz LQFMYKVPOPFXSG-UHFFFAOYSA-N 2 2 320.462 2.364 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000957049833 633557495 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GFSZKVGEJIRTHY-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003651459 636009940 /nfs/dbraw/zinc/00/99/40/636009940.db2.gz DGOBKLLSVFLTCL-HZPDHXFCSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003841463 636063780 /nfs/dbraw/zinc/06/37/80/636063780.db2.gz LBMIWDZEZJIXER-UHFFFAOYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028538254 636330181 /nfs/dbraw/zinc/33/01/81/636330181.db2.gz AFJWXKFIEKOXIT-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028538254 636330185 /nfs/dbraw/zinc/33/01/85/636330185.db2.gz AFJWXKFIEKOXIT-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982678899 636364517 /nfs/dbraw/zinc/36/45/17/636364517.db2.gz IHFBAAKVARXUOQ-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP 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2 302.422 2.030 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481318 787404992 /nfs/dbraw/zinc/40/49/92/787404992.db2.gz PPGJUPBRDXIVTR-HNNXBMFYSA-N 2 2 306.454 2.122 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874568 788215224 /nfs/dbraw/zinc/21/52/24/788215224.db2.gz JQRSLNTVFOKQCS-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874568 788215228 /nfs/dbraw/zinc/21/52/28/788215228.db2.gz JQRSLNTVFOKQCS-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021722 788254499 /nfs/dbraw/zinc/25/44/99/788254499.db2.gz SVNMNZKURYOOCV-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133274631 788346534 /nfs/dbraw/zinc/34/65/34/788346534.db2.gz LLBYDUZLTYKVOM-SMDDNHRTSA-N 2 2 324.856 2.087 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133288619 788349407 /nfs/dbraw/zinc/34/94/07/788349407.db2.gz JTCOIRLFSJEYTE-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134376268 788893265 /nfs/dbraw/zinc/89/32/65/788893265.db2.gz KCJCRWKRUXKVPP-STQMWFEESA-N 2 2 300.406 2.315 20 30 DEEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369871 788899577 /nfs/dbraw/zinc/89/95/77/788899577.db2.gz UAFANSOBLAHLAT-KGLIPLIRSA-N 2 2 312.417 2.153 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001098145319 791190421 /nfs/dbraw/zinc/19/04/21/791190421.db2.gz XLCHWHUPQKAQLN-KURKYZTESA-N 2 2 322.412 2.393 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001098145319 791190423 /nfs/dbraw/zinc/19/04/23/791190423.db2.gz XLCHWHUPQKAQLN-KURKYZTESA-N 2 2 322.412 2.393 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560658 791312554 /nfs/dbraw/zinc/31/25/54/791312554.db2.gz CJLYWFSBGNCVLP-UONOGXRCSA-N 2 2 321.490 2.165 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560658 791312559 /nfs/dbraw/zinc/31/25/59/791312559.db2.gz CJLYWFSBGNCVLP-UONOGXRCSA-N 2 2 321.490 2.165 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682614 791594601 /nfs/dbraw/zinc/59/46/01/791594601.db2.gz SHOFNXPMMOXFDE-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682614 791594610 /nfs/dbraw/zinc/59/46/10/791594610.db2.gz SHOFNXPMMOXFDE-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682614 791594621 /nfs/dbraw/zinc/59/46/21/791594621.db2.gz SHOFNXPMMOXFDE-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682614 791594628 /nfs/dbraw/zinc/59/46/28/791594628.db2.gz SHOFNXPMMOXFDE-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251510 792152490 /nfs/dbraw/zinc/15/24/90/792152490.db2.gz KRQLOMOEEYXKKH-JKSUJKDBSA-N 2 2 316.449 2.074 20 30 DEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251510 792152501 /nfs/dbraw/zinc/15/25/01/792152501.db2.gz KRQLOMOEEYXKKH-JKSUJKDBSA-N 2 2 316.449 2.074 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605425 793148782 /nfs/dbraw/zinc/14/87/82/793148782.db2.gz NOPRDAFBOHJMNM-HOTGVXAUSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784181 793213085 /nfs/dbraw/zinc/21/30/85/793213085.db2.gz JOXYTQSXSOYCDJ-AWEZNQCLSA-N 2 2 300.406 2.399 20 30 DEEDLP C[C@@H](CCCC#N)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001172495529 793437715 /nfs/dbraw/zinc/43/77/15/793437715.db2.gz QZWHFHHCGPXTHK-HNNXBMFYSA-N 2 2 312.421 2.068 20 30 DEEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001172495529 793437717 /nfs/dbraw/zinc/43/77/17/793437717.db2.gz QZWHFHHCGPXTHK-HNNXBMFYSA-N 2 2 312.421 2.068 20 30 DEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503626 794226464 /nfs/dbraw/zinc/22/64/64/794226464.db2.gz RJPXHTPKBVNPKX-HOTGVXAUSA-N 2 2 304.438 2.122 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193298 794369866 /nfs/dbraw/zinc/36/98/66/794369866.db2.gz YKBIBAGTKAFXGI-IKGGRYGDSA-N 2 2 316.449 2.351 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193298 794369874 /nfs/dbraw/zinc/36/98/74/794369874.db2.gz YKBIBAGTKAFXGI-IKGGRYGDSA-N 2 2 316.449 2.351 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cc2OC)OCO3)CC1 ZINC001177683697 794723788 /nfs/dbraw/zinc/72/37/88/794723788.db2.gz PONHEIFYIMOTLI-UHFFFAOYSA-N 2 2 304.390 2.164 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115767312 794914093 /nfs/dbraw/zinc/91/40/93/794914093.db2.gz HQAYOEVKBBLRDR-HNNXBMFYSA-N 2 2 316.449 2.020 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115767312 794914098 /nfs/dbraw/zinc/91/40/98/794914098.db2.gz HQAYOEVKBBLRDR-HNNXBMFYSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649417 794964759 /nfs/dbraw/zinc/96/47/59/794964759.db2.gz GWQYIXKIVWPVRK-UHFFFAOYSA-N 2 2 312.845 2.361 20 30 DEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649417 794964762 /nfs/dbraw/zinc/96/47/62/794964762.db2.gz GWQYIXKIVWPVRK-UHFFFAOYSA-N 2 2 312.845 2.361 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617703 795144049 /nfs/dbraw/zinc/14/40/49/795144049.db2.gz MBIZEVKMJKTRDT-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180064953 795234582 /nfs/dbraw/zinc/23/45/82/795234582.db2.gz BKUAJCIAMXALKI-UHFFFAOYSA-N 2 2 306.454 2.195 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182580514 795709520 /nfs/dbraw/zinc/70/95/20/795709520.db2.gz XLGFRVSKJNDEFU-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001121988428 795713000 /nfs/dbraw/zinc/71/30/00/795713000.db2.gz KYAXGUODYJLAOM-OAHLLOKOSA-N 2 2 316.380 2.311 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184652576 796099751 /nfs/dbraw/zinc/09/97/51/796099751.db2.gz NOSGDEHVNDXIKB-GJZGRUSLSA-N 2 2 324.428 2.274 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082985 797457753 /nfs/dbraw/zinc/45/77/53/797457753.db2.gz CRWCMYZMAVLLSJ-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082985 797457757 /nfs/dbraw/zinc/45/77/57/797457757.db2.gz CRWCMYZMAVLLSJ-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082985 797457761 /nfs/dbraw/zinc/45/77/61/797457761.db2.gz CRWCMYZMAVLLSJ-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082985 797457765 /nfs/dbraw/zinc/45/77/65/797457765.db2.gz CRWCMYZMAVLLSJ-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048988 797488336 /nfs/dbraw/zinc/48/83/36/797488336.db2.gz ZAVIXPBANTWZNT-HNNXBMFYSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048988 797488340 /nfs/dbraw/zinc/48/83/40/797488340.db2.gz ZAVIXPBANTWZNT-HNNXBMFYSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422265 797531325 /nfs/dbraw/zinc/53/13/25/797531325.db2.gz JLDNNUQKHZTRKM-OAHLLOKOSA-N 2 2 306.454 2.146 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422265 797531328 /nfs/dbraw/zinc/53/13/28/797531328.db2.gz JLDNNUQKHZTRKM-OAHLLOKOSA-N 2 2 306.454 2.146 20 30 DEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193469327 797570216 /nfs/dbraw/zinc/57/02/16/797570216.db2.gz POAMKLILYBWLRF-AWEZNQCLSA-N 2 2 304.438 2.186 20 30 DEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193469327 797570220 /nfs/dbraw/zinc/57/02/20/797570220.db2.gz POAMKLILYBWLRF-AWEZNQCLSA-N 2 2 304.438 2.186 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248347 798170332 /nfs/dbraw/zinc/17/03/32/798170332.db2.gz MCQRWMSNJJDTEH-MRXNPFEDSA-N 2 2 306.454 2.456 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248347 798170335 /nfs/dbraw/zinc/17/03/35/798170335.db2.gz MCQRWMSNJJDTEH-MRXNPFEDSA-N 2 2 306.454 2.456 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820179 798745962 /nfs/dbraw/zinc/74/59/62/798745962.db2.gz FOIAMPSXKFVXFB-CQSZACIVSA-N 2 2 306.454 2.377 20 30 DEEDLP C[NH+](C)C1(CNc2nc(Cl)ccc2C#N)CC[NH+](C)CC1 ZINC001164207003 799538685 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C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001491029488 1084017382 /nfs/dbraw/zinc/01/73/82/1084017382.db2.gz CFIMQLHDHCSIPX-CWRNSKLLSA-N 2 2 317.433 2.224 20 30 DEEDLP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001277575840 1084041281 /nfs/dbraw/zinc/04/12/81/1084041281.db2.gz ABHXVGOFLHTOQW-HZPDHXFCSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001491191804 1084138524 /nfs/dbraw/zinc/13/85/24/1084138524.db2.gz YYMQIBLELQEIRJ-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491264268 1084192811 /nfs/dbraw/zinc/19/28/11/1084192811.db2.gz QKRVIOAUYMWDKO-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001486119736 1085075529 /nfs/dbraw/zinc/07/55/29/1085075529.db2.gz YSFCTCQNNXXXIA-GOEBONIOSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001486119741 1085075718 /nfs/dbraw/zinc/07/57/18/1085075718.db2.gz YSFCTCQNNXXXIA-HOCLYGCPSA-N 2 2 317.433 2.178 20 30 DEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001486236219 1085156965 /nfs/dbraw/zinc/15/69/65/1085156965.db2.gz OILWKSXPLHBQFS-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCCC[NH+]1CCC([C@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001486448003 1085319008 /nfs/dbraw/zinc/31/90/08/1085319008.db2.gz VTMUGPBYWCRMFF-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961257078 1085659151 /nfs/dbraw/zinc/65/91/51/1085659151.db2.gz UPZQDEALGDROGK-HOTGVXAUSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961257078 1085659164 /nfs/dbraw/zinc/65/91/64/1085659164.db2.gz UPZQDEALGDROGK-HOTGVXAUSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277952 1085668990 /nfs/dbraw/zinc/66/89/90/1085668990.db2.gz ZLKNKGMOOURAFK-HOTGVXAUSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277952 1085668993 /nfs/dbraw/zinc/66/89/93/1085668993.db2.gz ZLKNKGMOOURAFK-HOTGVXAUSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963340256 1086414291 /nfs/dbraw/zinc/41/42/91/1086414291.db2.gz QFWKRJBTDDKWJE-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963340256 1086414299 /nfs/dbraw/zinc/41/42/99/1086414299.db2.gz QFWKRJBTDDKWJE-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084422818 1090285298 /nfs/dbraw/zinc/28/52/98/1090285298.db2.gz JUNWSSAMQOUVIA-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084422818 1090285300 /nfs/dbraw/zinc/28/53/00/1090285300.db2.gz JUNWSSAMQOUVIA-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084422818 1090285304 /nfs/dbraw/zinc/28/53/04/1090285304.db2.gz JUNWSSAMQOUVIA-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084422818 1090285307 /nfs/dbraw/zinc/28/53/07/1090285307.db2.gz JUNWSSAMQOUVIA-KCYZZUKISA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCN(CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OCC ZINC001274927938 1091476253 /nfs/dbraw/zinc/47/62/53/1091476253.db2.gz SDKUKICZQIWOCO-QGZVFWFLSA-N 2 2 309.454 2.049 20 30 DEEDLP C=CCN(CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OCC ZINC001274927938 1091476260 /nfs/dbraw/zinc/47/62/60/1091476260.db2.gz SDKUKICZQIWOCO-QGZVFWFLSA-N 2 2 309.454 2.049 20 30 DEEDLP C=CCN(CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(=O)OCC ZINC001274927938 1091476263 /nfs/dbraw/zinc/47/62/63/1091476263.db2.gz SDKUKICZQIWOCO-QGZVFWFLSA-N 2 2 309.454 2.049 20 30 DEEDLP C=CCN(CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OCC ZINC001274927938 1091476269 /nfs/dbraw/zinc/47/62/69/1091476269.db2.gz SDKUKICZQIWOCO-QGZVFWFLSA-N 2 2 309.454 2.049 20 30 DEEDLP C=CCCC[NH+]1CCC[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274961865 1091489683 /nfs/dbraw/zinc/48/96/83/1091489683.db2.gz CMVNWGUKIZNLOG-SFHVURJKSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[NH+]1CCC[C@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274961865 1091489686 /nfs/dbraw/zinc/48/96/86/1091489686.db2.gz CMVNWGUKIZNLOG-SFHVURJKSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274961865 1091489689 /nfs/dbraw/zinc/48/96/89/1091489689.db2.gz CMVNWGUKIZNLOG-SFHVURJKSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274961865 1091489692 /nfs/dbraw/zinc/48/96/92/1091489692.db2.gz CMVNWGUKIZNLOG-SFHVURJKSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCC[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001275617505 1091912945 /nfs/dbraw/zinc/91/29/45/1091912945.db2.gz OICXZPUUKYCCHA-UHFFFAOYSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001275815823 1092173926 /nfs/dbraw/zinc/17/39/26/1092173926.db2.gz ISNGZYMTYOJDQZ-WBVHZDCISA-N 2 2 318.465 2.193 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001495370950 1093379816 /nfs/dbraw/zinc/37/98/16/1093379816.db2.gz NJFWYPDSPIOVMX-OAHLLOKOSA-N 2 2 324.856 2.244 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798110 1138332869 /nfs/dbraw/zinc/33/28/69/1138332869.db2.gz RMIZIBCPWCAYJW-HNNXBMFYSA-N 2 2 304.438 2.035 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798110 1138332871 /nfs/dbraw/zinc/33/28/71/1138332871.db2.gz RMIZIBCPWCAYJW-HNNXBMFYSA-N 2 2 304.438 2.035 20 30 DEEDLP C#CCC[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001319000337 1140488564 /nfs/dbraw/zinc/48/85/64/1140488564.db2.gz OJWZQHODXUWMDX-MRXNPFEDSA-N 2 2 324.428 2.264 20 30 DEEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001319778871 1140713827 /nfs/dbraw/zinc/71/38/27/1140713827.db2.gz PWDTZYSNABZUHI-SJORKVTESA-N 2 2 316.449 2.218 20 30 DEEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001319815528 1140734588 /nfs/dbraw/zinc/73/45/88/1140734588.db2.gz ATAFTQSUHIXPAK-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP N#Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC001246866381 1141092825 /nfs/dbraw/zinc/09/28/25/1141092825.db2.gz JUCXTRARJFYCHA-XYPWUTKMSA-N 2 2 314.408 2.102 20 30 DEEDLP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001278572002 1142213092 /nfs/dbraw/zinc/21/30/92/1142213092.db2.gz KNVXXPLPCJTNQP-GOSISDBHSA-N 2 2 318.465 2.482 20 30 DEEDLP C=CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001278610929 1142343845 /nfs/dbraw/zinc/34/38/45/1142343845.db2.gz LYLXUODKUOURJZ-UHFFFAOYSA-N 2 2 317.433 2.037 20 30 DEEDLP C=C[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001252574810 1142768359 /nfs/dbraw/zinc/76/83/59/1142768359.db2.gz RGZGZCMPXCKAIL-SFHVURJKSA-N 2 2 304.434 2.186 20 30 DEEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC001338504714 1142860253 /nfs/dbraw/zinc/86/02/53/1142860253.db2.gz JSFVKFWZDWPZAS-MRXNPFEDSA-N 2 2 310.800 2.200 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001263993598 1144439209 /nfs/dbraw/zinc/43/92/09/1144439209.db2.gz LBQJGQUZDOCBQL-QKPAOTATSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001263993598 1144439216 /nfs/dbraw/zinc/43/92/16/1144439216.db2.gz LBQJGQUZDOCBQL-QKPAOTATSA-N 2 2 316.449 2.306 20 30 DEEDLP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001264515744 1144554893 /nfs/dbraw/zinc/55/48/93/1144554893.db2.gz RTQQFWXWYCPRNA-HOTGVXAUSA-N 2 2 324.428 2.188 20 30 DEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265657936 1144723740 /nfs/dbraw/zinc/72/37/40/1144723740.db2.gz NODQDQSRUAXSAU-ZWKOTPCHSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265657936 1144723745 /nfs/dbraw/zinc/72/37/45/1144723745.db2.gz NODQDQSRUAXSAU-ZWKOTPCHSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265709086 1144732432 /nfs/dbraw/zinc/73/24/32/1144732432.db2.gz YWMNTRUDNNMAPB-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265709086 1144732434 /nfs/dbraw/zinc/73/24/34/1144732434.db2.gz YWMNTRUDNNMAPB-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266010337 1144784890 /nfs/dbraw/zinc/78/48/90/1144784890.db2.gz HICRNHDZHSWWLB-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366611790 1147393753 /nfs/dbraw/zinc/39/37/53/1147393753.db2.gz DEYADONURBIDIX-UHFFFAOYSA-N 2 2 313.873 2.053 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366611790 1147393757 /nfs/dbraw/zinc/39/37/57/1147393757.db2.gz DEYADONURBIDIX-UHFFFAOYSA-N 2 2 313.873 2.053 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316944003 1147636413 /nfs/dbraw/zinc/63/64/13/1147636413.db2.gz MQSKGTWGAUDPML-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316944003 1147636415 /nfs/dbraw/zinc/63/64/15/1147636415.db2.gz MQSKGTWGAUDPML-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844837 1147757238 /nfs/dbraw/zinc/75/72/38/1147757238.db2.gz GAMCMPNWCKNASV-SJORKVTESA-N 2 2 318.465 2.408 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844837 1147757239 /nfs/dbraw/zinc/75/72/39/1147757239.db2.gz GAMCMPNWCKNASV-SJORKVTESA-N 2 2 318.465 2.408 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001326847202 1148268993 /nfs/dbraw/zinc/26/89/93/1148268993.db2.gz XDOUEODPNKZPPJ-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C[C@@]1(C#N)CCC[NH+](CCOCC[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612165450 361761765 /nfs/dbraw/zinc/76/17/65/361761765.db2.gz LXEAYURADDCNFA-ROUUACIJSA-N 2 2 318.465 2.254 20 30 DEEDLP C[C@@]1(C#N)CCC[NH+](CCOCC[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612165450 361761768 /nfs/dbraw/zinc/76/17/68/361761768.db2.gz LXEAYURADDCNFA-ROUUACIJSA-N 2 2 318.465 2.254 20 30 DEEDLP CNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000264115527 530039459 /nfs/dbraw/zinc/03/94/59/530039459.db2.gz SLDOTYWXQAEXMS-HNNXBMFYSA-N 2 2 314.458 2.382 20 30 DEEDLP CNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000264115527 530039460 /nfs/dbraw/zinc/03/94/60/530039460.db2.gz SLDOTYWXQAEXMS-HNNXBMFYSA-N 2 2 314.458 2.382 20 30 DEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC000616768831 362931218 /nfs/dbraw/zinc/93/12/18/362931218.db2.gz QFCWDIVNQPBUDS-UHFFFAOYSA-N 2 2 309.417 2.212 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173591008 198231165 /nfs/dbraw/zinc/23/11/65/198231165.db2.gz QTKHNNPDCBJHFX-QZTJIDSGSA-N 2 2 319.493 2.383 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173591008 198231166 /nfs/dbraw/zinc/23/11/66/198231166.db2.gz QTKHNNPDCBJHFX-QZTJIDSGSA-N 2 2 319.493 2.383 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000237202287 202188750 /nfs/dbraw/zinc/18/87/50/202188750.db2.gz RYVFSFACIQLXBJ-UHFFFAOYSA-N 2 2 316.445 2.289 20 30 DEEDLP Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000591820926 357764767 /nfs/dbraw/zinc/76/47/67/357764767.db2.gz FYGMQLWGZMHQKH-UHFFFAOYSA-N 2 2 314.433 2.343 20 30 DEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598701479 359297391 /nfs/dbraw/zinc/29/73/91/359297391.db2.gz LCGLEVJXGYSIAJ-AWEZNQCLSA-N 2 2 300.406 2.235 20 30 DEEDLP N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000602502211 360407404 /nfs/dbraw/zinc/40/74/04/360407404.db2.gz JWNDCSULXMDQNV-UHFFFAOYSA-N 2 2 322.412 2.075 20 30 DEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000602656857 360478652 /nfs/dbraw/zinc/47/86/52/360478652.db2.gz ZCWRLKMBCPXDBV-CQSZACIVSA-N 2 2 302.422 2.408 20 30 DEEDLP C[C@H](CCCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271896401 209305414 /nfs/dbraw/zinc/30/54/14/209305414.db2.gz UCLNZWWICSXMMR-OAHLLOKOSA-N 2 2 301.434 2.273 20 30 DEEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109792773 194284715 /nfs/dbraw/zinc/28/47/15/194284715.db2.gz ILMLGZYNFLQYNX-UHFFFAOYSA-N 2 2 309.373 2.030 20 30 DEEDLP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000119870675 195051869 /nfs/dbraw/zinc/05/18/69/195051869.db2.gz RGZKGTYFPOLWIX-SFHVURJKSA-N 2 2 301.434 2.491 20 30 DEEDLP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000119870675 195051872 /nfs/dbraw/zinc/05/18/72/195051872.db2.gz RGZKGTYFPOLWIX-SFHVURJKSA-N 2 2 301.434 2.491 20 30 DEEDLP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000119870675 195051874 /nfs/dbraw/zinc/05/18/74/195051874.db2.gz RGZKGTYFPOLWIX-SFHVURJKSA-N 2 2 301.434 2.491 20 30 DEEDLP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000119870675 195051876 /nfs/dbraw/zinc/05/18/76/195051876.db2.gz RGZKGTYFPOLWIX-SFHVURJKSA-N 2 2 301.434 2.491 20 30 DEEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247728828 145143566 /nfs/dbraw/zinc/14/35/66/145143566.db2.gz UYPRWXFTZAXLDT-RHSMWYFYSA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247728828 145143568 /nfs/dbraw/zinc/14/35/68/145143568.db2.gz UYPRWXFTZAXLDT-RHSMWYFYSA-N 2 2 323.400 2.276 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134908882 401919892 /nfs/dbraw/zinc/91/98/92/401919892.db2.gz JOMWOCZONGBPFD-AEFFLSMTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134908882 401919895 /nfs/dbraw/zinc/91/98/95/401919895.db2.gz JOMWOCZONGBPFD-AEFFLSMTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134908882 401919897 /nfs/dbraw/zinc/91/98/97/401919897.db2.gz JOMWOCZONGBPFD-AEFFLSMTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134908882 401919898 /nfs/dbraw/zinc/91/98/98/401919898.db2.gz JOMWOCZONGBPFD-AEFFLSMTSA-N 2 2 319.493 2.360 20 30 DEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000125082415 402211855 /nfs/dbraw/zinc/21/18/55/402211855.db2.gz IFOGTDYLBIRCSX-MRXNPFEDSA-N 2 2 316.424 2.304 20 30 DEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000125082415 402211856 /nfs/dbraw/zinc/21/18/56/402211856.db2.gz IFOGTDYLBIRCSX-MRXNPFEDSA-N 2 2 316.424 2.304 20 30 DEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1cccc(F)c1 ZINC000170906455 402540498 /nfs/dbraw/zinc/54/04/98/402540498.db2.gz UDJXETCBSXRJSW-AWEZNQCLSA-N 2 2 301.369 2.250 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265480328 402922725 /nfs/dbraw/zinc/92/27/25/402922725.db2.gz KRRSXNNAHHUHNC-CYBMUJFWSA-N 2 2 323.400 2.488 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267422348 403039160 /nfs/dbraw/zinc/03/91/60/403039160.db2.gz KXEANZPATLVEGE-LBPRGKRZSA-N 2 2 315.402 2.161 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267422348 403039163 /nfs/dbraw/zinc/03/91/63/403039163.db2.gz KXEANZPATLVEGE-LBPRGKRZSA-N 2 2 315.402 2.161 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000332040154 403467938 /nfs/dbraw/zinc/46/79/38/403467938.db2.gz KMPPXTVOGGUWSK-NBOOPKSLSA-N 2 2 315.465 2.475 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC[N@H+]1C ZINC000332040154 403467942 /nfs/dbraw/zinc/46/79/42/403467942.db2.gz KMPPXTVOGGUWSK-NBOOPKSLSA-N 2 2 315.465 2.475 20 30 DEEDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343562620 403639474 /nfs/dbraw/zinc/63/94/74/403639474.db2.gz YSLJGNBKMGESLB-UHFFFAOYSA-N 2 2 301.434 2.031 20 30 DEEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343562620 403639475 /nfs/dbraw/zinc/63/94/75/403639475.db2.gz YSLJGNBKMGESLB-UHFFFAOYSA-N 2 2 301.434 2.031 20 30 DEEDLP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000303782692 403755987 /nfs/dbraw/zinc/75/59/87/403755987.db2.gz NKRLPKVGELVBMR-UHFFFAOYSA-N 2 2 322.372 2.203 20 30 DEEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328955633 404182516 /nfs/dbraw/zinc/18/25/16/404182516.db2.gz NHGBFPFYKYIDSW-TZMCWYRMSA-N 2 2 301.394 2.243 20 30 DEEDLP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000353348794 404810007 /nfs/dbraw/zinc/81/00/07/404810007.db2.gz FPKYKKKBWCNAAN-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000353348794 404810012 /nfs/dbraw/zinc/81/00/12/404810012.db2.gz FPKYKKKBWCNAAN-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353449001 404833654 /nfs/dbraw/zinc/83/36/54/404833654.db2.gz LYFKOGGDKBDJCO-CRAIPNDOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353449001 404833656 /nfs/dbraw/zinc/83/36/56/404833656.db2.gz LYFKOGGDKBDJCO-CRAIPNDOSA-N 2 2 307.482 2.216 20 30 DEEDLP C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354043748 405017076 /nfs/dbraw/zinc/01/70/76/405017076.db2.gz ZRSMBISVFCTYIA-WMLDXEAASA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354043748 405017082 /nfs/dbraw/zinc/01/70/82/405017082.db2.gz ZRSMBISVFCTYIA-WMLDXEAASA-N 2 2 318.490 2.078 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000424774208 405174188 /nfs/dbraw/zinc/17/41/88/405174188.db2.gz ZHASDSQATDTZGS-OAHLLOKOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000424774208 405174191 /nfs/dbraw/zinc/17/41/91/405174191.db2.gz ZHASDSQATDTZGS-OAHLLOKOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CC[N@@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103606 405577941 /nfs/dbraw/zinc/57/79/41/405577941.db2.gz YLEDFOKAPKICLK-UHFFFAOYSA-N 2 2 300.406 2.494 20 30 DEEDLP C=CC[N@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103606 405577949 /nfs/dbraw/zinc/57/79/49/405577949.db2.gz YLEDFOKAPKICLK-UHFFFAOYSA-N 2 2 300.406 2.494 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3CO)CC2)cc1 ZINC000449707167 405702923 /nfs/dbraw/zinc/70/29/23/405702923.db2.gz CVXJGUBOTAAGRR-HKUYNNGSSA-N 2 2 313.445 2.273 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495022420 405800974 /nfs/dbraw/zinc/80/09/74/405800974.db2.gz YFZMQIKDAYIWAK-HNNXBMFYSA-N 2 2 323.400 2.490 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495022420 405800981 /nfs/dbraw/zinc/80/09/81/405800981.db2.gz YFZMQIKDAYIWAK-HNNXBMFYSA-N 2 2 323.400 2.490 20 30 DEEDLP C(#CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639775945 406247175 /nfs/dbraw/zinc/24/71/75/406247175.db2.gz HVHRTNVWVXYNNT-QZTJIDSGSA-N 2 2 324.432 2.110 20 30 DEEDLP C(#CC[N@H+]1CCC[C@@H]1c1cn[nH]c1)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639775945 406247176 /nfs/dbraw/zinc/24/71/76/406247176.db2.gz HVHRTNVWVXYNNT-QZTJIDSGSA-N 2 2 324.432 2.110 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000491209578 406544680 /nfs/dbraw/zinc/54/46/80/406544680.db2.gz IZCGAIULMJCBHZ-ZDUSSCGKSA-N 2 2 308.397 2.449 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000491209578 406544681 /nfs/dbraw/zinc/54/46/81/406544681.db2.gz IZCGAIULMJCBHZ-ZDUSSCGKSA-N 2 2 308.397 2.449 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000491483576 406602002 /nfs/dbraw/zinc/60/20/02/406602002.db2.gz CJVXKUWMDPDENS-HNNXBMFYSA-N 2 2 311.433 2.181 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000491483576 406602007 /nfs/dbraw/zinc/60/20/07/406602007.db2.gz CJVXKUWMDPDENS-HNNXBMFYSA-N 2 2 311.433 2.181 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000491505086 406606259 /nfs/dbraw/zinc/60/62/59/406606259.db2.gz KJDHYVUVWCWTPV-CQSZACIVSA-N 2 2 317.433 2.259 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000491505086 406606264 /nfs/dbraw/zinc/60/62/64/406606264.db2.gz KJDHYVUVWCWTPV-CQSZACIVSA-N 2 2 317.433 2.259 20 30 DEEDLP C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644941902 407217412 /nfs/dbraw/zinc/21/74/12/407217412.db2.gz UCFFIDAJXSSMTQ-HNNXBMFYSA-N 2 2 322.497 2.056 20 30 DEEDLP C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644941902 407217413 /nfs/dbraw/zinc/21/74/13/407217413.db2.gz UCFFIDAJXSSMTQ-HNNXBMFYSA-N 2 2 322.497 2.056 20 30 DEEDLP C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644941903 407217537 /nfs/dbraw/zinc/21/75/37/407217537.db2.gz UCFFIDAJXSSMTQ-OAHLLOKOSA-N 2 2 322.497 2.056 20 30 DEEDLP C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644941903 407217539 /nfs/dbraw/zinc/21/75/39/407217539.db2.gz UCFFIDAJXSSMTQ-OAHLLOKOSA-N 2 2 322.497 2.056 20 30 DEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000118400086 287130735 /nfs/dbraw/zinc/13/07/35/287130735.db2.gz SYWXHJJWNXQKCX-HNNXBMFYSA-N 2 2 301.434 2.398 20 30 DEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000118400086 287130740 /nfs/dbraw/zinc/13/07/40/287130740.db2.gz SYWXHJJWNXQKCX-HNNXBMFYSA-N 2 2 301.434 2.398 20 30 DEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000248737959 225240210 /nfs/dbraw/zinc/24/02/10/225240210.db2.gz DUTFCZNDIJHUSI-ATZDWAIDSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000248737959 225240211 /nfs/dbraw/zinc/24/02/11/225240211.db2.gz DUTFCZNDIJHUSI-ATZDWAIDSA-N 2 2 313.445 2.078 20 30 DEEDLP Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c(C)[nH+]1 ZINC000331343753 226082367 /nfs/dbraw/zinc/08/23/67/226082367.db2.gz ULYNPRCCPSYLJY-UHFFFAOYSA-N 2 2 320.437 2.444 20 30 DEEDLP Cc1cc(C)c(NC(=O)NCC[N@H+]2CCOCC2(C)C)c(C)[nH+]1 ZINC000331343753 226082372 /nfs/dbraw/zinc/08/23/72/226082372.db2.gz ULYNPRCCPSYLJY-UHFFFAOYSA-N 2 2 320.437 2.444 20 30 DEEDLP CCn1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418067682 229208055 /nfs/dbraw/zinc/20/80/55/229208055.db2.gz NDIGYGSWBLLALE-UHFFFAOYSA-N 2 2 311.433 2.338 20 30 DEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849662 649854197 /nfs/dbraw/zinc/85/41/97/649854197.db2.gz DUNFDNLRIKZNHI-NVXWUHKLSA-N 2 2 317.433 2.086 20 30 DEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849662 649854199 /nfs/dbraw/zinc/85/41/99/649854199.db2.gz DUNFDNLRIKZNHI-NVXWUHKLSA-N 2 2 317.433 2.086 20 30 DEEDLP CCN(CC)C(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277439240 276316446 /nfs/dbraw/zinc/31/64/46/276316446.db2.gz QKZCMPBCKBDFBS-MRXNPFEDSA-N 2 2 320.506 2.261 20 30 DEEDLP CCN(CC)C(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277439240 276316447 /nfs/dbraw/zinc/31/64/47/276316447.db2.gz QKZCMPBCKBDFBS-MRXNPFEDSA-N 2 2 320.506 2.261 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001378191295 1152205067 /nfs/dbraw/zinc/20/50/67/1152205067.db2.gz SVSVCUKDYDFVGX-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001378191295 1152205073 /nfs/dbraw/zinc/20/50/73/1152205073.db2.gz SVSVCUKDYDFVGX-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001378191295 1152205078 /nfs/dbraw/zinc/20/50/78/1152205078.db2.gz SVSVCUKDYDFVGX-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001378191295 1152205085 /nfs/dbraw/zinc/20/50/85/1152205085.db2.gz SVSVCUKDYDFVGX-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001378195258 1152207967 /nfs/dbraw/zinc/20/79/67/1152207967.db2.gz BPUNWTGQUQTKIE-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001378195258 1152207970 /nfs/dbraw/zinc/20/79/70/1152207970.db2.gz BPUNWTGQUQTKIE-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377657312 1160681400 /nfs/dbraw/zinc/68/14/00/1160681400.db2.gz NSXMVEHFINLCKL-GJZGRUSLSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377657312 1160681412 /nfs/dbraw/zinc/68/14/12/1160681412.db2.gz NSXMVEHFINLCKL-GJZGRUSLSA-N 2 2 315.889 2.392 20 30 DEEDLP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329953563 1149022096 /nfs/dbraw/zinc/02/20/96/1149022096.db2.gz OGMORTOXRSBWBY-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329953563 1149022104 /nfs/dbraw/zinc/02/21/04/1149022104.db2.gz OGMORTOXRSBWBY-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C[NH+]=C(NCc1ccco1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262009094 526385311 /nfs/dbraw/zinc/38/53/11/526385311.db2.gz WEQOWDJWISFNTE-HIFRSBDPSA-N 2 2 301.394 2.135 20 30 DEEDLP C[NH+]=C(NCc1ccco1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262009097 526385467 /nfs/dbraw/zinc/38/54/67/526385467.db2.gz WEQOWDJWISFNTE-ZFWWWQNUSA-N 2 2 301.394 2.135 20 30 DEEDLP C=CC[C@H](CC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375640500 527151756 /nfs/dbraw/zinc/15/17/56/527151756.db2.gz BLIGJUCVYAYKCD-HNNXBMFYSA-N 2 2 322.497 2.199 20 30 DEEDLP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2C1 ZINC001327686040 1148623569 /nfs/dbraw/zinc/62/35/69/1148623569.db2.gz VGCIQGCWWDTLGC-UHFFFAOYSA-N 2 2 324.428 2.400 20 30 DEEDLP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2C1 ZINC001327686040 1148623581 /nfs/dbraw/zinc/62/35/81/1148623581.db2.gz VGCIQGCWWDTLGC-UHFFFAOYSA-N 2 2 324.428 2.400 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001379650750 1152664688 /nfs/dbraw/zinc/66/46/88/1152664688.db2.gz IWADZDBREBUTLI-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001379650750 1152664689 /nfs/dbraw/zinc/66/46/89/1152664689.db2.gz IWADZDBREBUTLI-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001379650750 1152664690 /nfs/dbraw/zinc/66/46/90/1152664690.db2.gz IWADZDBREBUTLI-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001379650750 1152664691 /nfs/dbraw/zinc/66/46/91/1152664691.db2.gz IWADZDBREBUTLI-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001026400467 625414756 /nfs/dbraw/zinc/41/47/56/625414756.db2.gz KCEWMTPKGQBXSE-RRFJBIMHSA-N 2 2 316.449 2.090 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]12 ZINC001026400465 625415005 /nfs/dbraw/zinc/41/50/05/625415005.db2.gz KCEWMTPKGQBXSE-QLFBSQMISA-N 2 2 316.449 2.090 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001026518403 625494193 /nfs/dbraw/zinc/49/41/93/625494193.db2.gz SYAPOAULAPYCNC-NFOMZHRRSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001026518403 625494195 /nfs/dbraw/zinc/49/41/95/625494195.db2.gz SYAPOAULAPYCNC-NFOMZHRRSA-N 2 2 316.449 2.026 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000970147008 623188092 /nfs/dbraw/zinc/18/80/92/623188092.db2.gz QYLVOXLAEZJOFT-CQSZACIVSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892880509 625685095 /nfs/dbraw/zinc/68/50/95/625685095.db2.gz BPOIWUCKFDFYFM-UHFFFAOYSA-N 2 2 306.406 2.149 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723864 624005534 /nfs/dbraw/zinc/00/55/34/624005534.db2.gz ZUQYRLOHGHCOBQ-WBVHZDCISA-N 2 2 316.449 2.150 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723864 624005537 /nfs/dbraw/zinc/00/55/37/624005537.db2.gz ZUQYRLOHGHCOBQ-WBVHZDCISA-N 2 2 316.449 2.150 20 30 DEEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576699 625900286 /nfs/dbraw/zinc/90/02/86/625900286.db2.gz YITCPXBQXMOOGJ-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576699 625900292 /nfs/dbraw/zinc/90/02/92/625900292.db2.gz YITCPXBQXMOOGJ-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996094283 633182088 /nfs/dbraw/zinc/18/20/88/633182088.db2.gz SGIPDMWHUTVFSV-QGZVFWFLSA-N 2 2 324.428 2.499 20 30 DEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974736770 633281372 /nfs/dbraw/zinc/28/13/72/633281372.db2.gz QFZUOLAMRMMSPQ-INIZCTEOSA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974736770 633281373 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2.112 20 30 DEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000922155210 635905499 /nfs/dbraw/zinc/90/54/99/635905499.db2.gz WIEOGZNVEPNAKK-QGZVFWFLSA-N 2 2 301.434 2.112 20 30 DEEDLP C=CC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001005396615 636732994 /nfs/dbraw/zinc/73/29/94/636732994.db2.gz NXMCPUUDIQJHKS-UHFFFAOYSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239497 640763444 /nfs/dbraw/zinc/76/34/44/640763444.db2.gz XHQGYNYMNGBGAI-GDBMZVCRSA-N 2 2 310.401 2.251 20 30 DEEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775571111 642060763 /nfs/dbraw/zinc/06/07/63/642060763.db2.gz AIVWFNZLQPWERM-WOJBJXKFSA-N 2 2 312.457 2.464 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H](C)C1 ZINC000787309746 643480010 /nfs/dbraw/zinc/48/00/10/643480010.db2.gz SBJQHWNVIQPEHY-ULQDDVLXSA-N 2 2 306.454 2.157 20 30 DEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H](C)C1 ZINC000787309746 643480014 /nfs/dbraw/zinc/48/00/14/643480014.db2.gz SBJQHWNVIQPEHY-ULQDDVLXSA-N 2 2 306.454 2.157 20 30 DEEDLP C[C@]1(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CCC[NH2+]C1 ZINC000904384209 643656152 /nfs/dbraw/zinc/65/61/52/643656152.db2.gz GTORHVAFYSDNDB-SFHVURJKSA-N 2 2 316.424 2.209 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000906503928 644274986 /nfs/dbraw/zinc/27/49/86/644274986.db2.gz YAWQDKYREYHGPK-QGZVFWFLSA-N 3 2 318.465 2.260 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000906503928 644274988 /nfs/dbraw/zinc/27/49/88/644274988.db2.gz YAWQDKYREYHGPK-QGZVFWFLSA-N 3 2 318.465 2.260 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314529 646515501 /nfs/dbraw/zinc/51/55/01/646515501.db2.gz GUJLAWMXLVEYSU-RHSMWYFYSA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314529 646515504 /nfs/dbraw/zinc/51/55/04/646515504.db2.gz GUJLAWMXLVEYSU-RHSMWYFYSA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992476471 647049602 /nfs/dbraw/zinc/04/96/02/647049602.db2.gz LOWFHQGJIPMTHX-HOCLYGCPSA-N 2 2 322.840 2.057 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992476471 647049603 /nfs/dbraw/zinc/04/96/03/647049603.db2.gz LOWFHQGJIPMTHX-HOCLYGCPSA-N 2 2 322.840 2.057 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000732136542 647544463 /nfs/dbraw/zinc/54/44/63/647544463.db2.gz PWZXTDLKBZRGEN-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000732136542 647544467 /nfs/dbraw/zinc/54/44/67/647544467.db2.gz PWZXTDLKBZRGEN-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000732136542 647544468 /nfs/dbraw/zinc/54/44/68/647544468.db2.gz PWZXTDLKBZRGEN-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000732136542 647544471 /nfs/dbraw/zinc/54/44/71/647544471.db2.gz PWZXTDLKBZRGEN-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053502 649143557 /nfs/dbraw/zinc/14/35/57/649143557.db2.gz QCRYNTNPZQQIRL-XJKSGUPXSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053502 649143559 /nfs/dbraw/zinc/14/35/59/649143559.db2.gz QCRYNTNPZQQIRL-XJKSGUPXSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942174536 649175205 /nfs/dbraw/zinc/17/52/05/649175205.db2.gz XLYKZXCQUKTZQR-ZBFHGGJFSA-N 2 2 317.433 2.035 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942174536 649175208 /nfs/dbraw/zinc/17/52/08/649175208.db2.gz XLYKZXCQUKTZQR-ZBFHGGJFSA-N 2 2 317.433 2.035 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942532531 649238245 /nfs/dbraw/zinc/23/82/45/649238245.db2.gz 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2.053 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001399655373 1161475610 /nfs/dbraw/zinc/47/56/10/1161475610.db2.gz FDRYJHQRZBVRLH-UHFFFAOYSA-N 2 2 301.862 2.053 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001401069004 1161866555 /nfs/dbraw/zinc/86/65/55/1161866555.db2.gz DFMSYEQUHSMFJL-CZUORRHYSA-N 2 2 324.856 2.461 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001403925490 1163298723 /nfs/dbraw/zinc/29/87/23/1163298723.db2.gz XQJCTVOPGHGQBE-HNNXBMFYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001403990656 1163357944 /nfs/dbraw/zinc/35/79/44/1163357944.db2.gz ZDUXZGZOKMQKGG-AWEZNQCLSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001404608210 1163748143 /nfs/dbraw/zinc/74/81/43/1163748143.db2.gz UTHZQCSRUUOGCM-OAHLLOKOSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001404608210 1163748149 /nfs/dbraw/zinc/74/81/49/1163748149.db2.gz UTHZQCSRUUOGCM-OAHLLOKOSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001419223843 1168327238 /nfs/dbraw/zinc/32/72/38/1168327238.db2.gz SZKRCTHDLJVGKY-LBPRGKRZSA-N 2 2 306.797 2.413 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001422170035 1172367400 /nfs/dbraw/zinc/36/74/00/1172367400.db2.gz XABVSEKAZBVDRS-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001422170035 1172367409 /nfs/dbraw/zinc/36/74/09/1172367409.db2.gz XABVSEKAZBVDRS-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001422170035 1172367415 /nfs/dbraw/zinc/36/74/15/1172367415.db2.gz XABVSEKAZBVDRS-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001422170035 1172367422 /nfs/dbraw/zinc/36/74/22/1172367422.db2.gz XABVSEKAZBVDRS-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001424474134 1173801968 /nfs/dbraw/zinc/80/19/68/1173801968.db2.gz MOKDAXPBUMAROS-UHFFFAOYSA-N 2 2 324.856 2.076 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001425063496 1174157388 /nfs/dbraw/zinc/15/73/88/1174157388.db2.gz FRXLHODEUMLRQU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001425063496 1174157391 /nfs/dbraw/zinc/15/73/91/1174157391.db2.gz FRXLHODEUMLRQU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001405168057 1163983479 /nfs/dbraw/zinc/98/34/79/1163983479.db2.gz AUKZYBGXQKERHP-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001405168057 1163983505 /nfs/dbraw/zinc/98/35/05/1163983505.db2.gz AUKZYBGXQKERHP-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001405168057 1163983522 /nfs/dbraw/zinc/98/35/22/1163983522.db2.gz AUKZYBGXQKERHP-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001405168057 1163983536 /nfs/dbraw/zinc/98/35/36/1163983536.db2.gz AUKZYBGXQKERHP-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127293304 782510537 /nfs/dbraw/zinc/51/05/37/782510537.db2.gz UFJRFZUTSSDYCV-ZDUSSCGKSA-N 2 2 300.406 2.317 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001332872949 1149911405 /nfs/dbraw/zinc/91/14/05/1149911405.db2.gz DEZNGPVRQGYCNG-UKRRQHHQSA-N 2 2 306.454 2.285 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC001332872949 1149911409 /nfs/dbraw/zinc/91/14/09/1149911409.db2.gz DEZNGPVRQGYCNG-UKRRQHHQSA-N 2 2 306.454 2.285 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306550 777761569 /nfs/dbraw/zinc/76/15/69/777761569.db2.gz KMESKPRYPUIEOQ-OIISXLGYSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306550 777761578 /nfs/dbraw/zinc/76/15/78/777761578.db2.gz KMESKPRYPUIEOQ-OIISXLGYSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001087310307 777768386 /nfs/dbraw/zinc/76/83/86/777768386.db2.gz ULVVXDSRGDQKJW-XOKHGSTOSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001087310307 777768390 /nfs/dbraw/zinc/76/83/90/777768390.db2.gz ULVVXDSRGDQKJW-XOKHGSTOSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088355836 780018373 /nfs/dbraw/zinc/01/83/73/780018373.db2.gz ITGLJMWUWRDRCL-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)[C@@H]1C ZINC001088631394 780667685 /nfs/dbraw/zinc/66/76/85/780667685.db2.gz IYDJAHGPYSZANI-NJAFHUGGSA-N 2 2 319.493 2.099 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1C ZINC001088631394 780667690 /nfs/dbraw/zinc/66/76/90/780667690.db2.gz IYDJAHGPYSZANI-NJAFHUGGSA-N 2 2 319.493 2.099 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1C ZINC001088631394 780667693 /nfs/dbraw/zinc/66/76/93/780667693.db2.gz IYDJAHGPYSZANI-NJAFHUGGSA-N 2 2 319.493 2.099 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1C ZINC001088631394 780667698 /nfs/dbraw/zinc/66/76/98/780667698.db2.gz IYDJAHGPYSZANI-NJAFHUGGSA-N 2 2 319.493 2.099 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748620 780933961 /nfs/dbraw/zinc/93/39/61/780933961.db2.gz NFVLCOLSUPJCPV-DOMZBBRYSA-N 2 2 318.808 2.279 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748620 780933964 /nfs/dbraw/zinc/93/39/64/780933964.db2.gz NFVLCOLSUPJCPV-DOMZBBRYSA-N 2 2 318.808 2.279 20 30 DEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001171192807 790928282 /nfs/dbraw/zinc/92/82/82/790928282.db2.gz BKTTWXFQISXGNL-YJBOKZPZSA-N 2 2 313.445 2.332 20 30 DEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001171192807 790928296 /nfs/dbraw/zinc/92/82/96/790928296.db2.gz BKTTWXFQISXGNL-YJBOKZPZSA-N 2 2 313.445 2.332 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652965 783325146 /nfs/dbraw/zinc/32/51/46/783325146.db2.gz MLCWLCISAPSVTR-RRFJBIMHSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652965 783325158 /nfs/dbraw/zinc/32/51/58/783325158.db2.gz MLCWLCISAPSVTR-RRFJBIMHSA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085232328 783594383 /nfs/dbraw/zinc/59/43/83/783594383.db2.gz YXWHXBXUTYBCNC-KBUPBQIOSA-N 2 2 302.422 2.106 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085232328 783594387 /nfs/dbraw/zinc/59/43/87/783594387.db2.gz YXWHXBXUTYBCNC-KBUPBQIOSA-N 2 2 302.422 2.106 20 30 DEEDLP C#C[C@](C)(CC)Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001169693035 785306507 /nfs/dbraw/zinc/30/65/07/785306507.db2.gz SIPTUJSNKYRXTQ-QGZVFWFLSA-N 2 2 301.438 2.174 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549154 785923394 /nfs/dbraw/zinc/92/33/94/785923394.db2.gz MRDGTZXNMOAYNC-PMPSAXMXSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549154 785923398 /nfs/dbraw/zinc/92/33/98/785923398.db2.gz MRDGTZXNMOAYNC-PMPSAXMXSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001113357974 786543211 /nfs/dbraw/zinc/54/32/11/786543211.db2.gz WSVAIUGXFPDHPY-ARFHVFGLSA-N 2 2 316.449 2.023 20 30 DEEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001132992186 788250800 /nfs/dbraw/zinc/25/08/00/788250800.db2.gz DMTHZKDRDGHBBL-CXAGYDPISA-N 2 2 313.445 2.328 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132998003 788251534 /nfs/dbraw/zinc/25/15/34/788251534.db2.gz LQVKXJANTVZLFH-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403213 788903773 /nfs/dbraw/zinc/90/37/73/788903773.db2.gz LENWDIOUCNCFGL-CABCVRRESA-N 2 2 318.465 2.211 20 30 DEEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096821 789197015 /nfs/dbraw/zinc/19/70/15/789197015.db2.gz BWUCSCZAGIQVEC-HZPDHXFCSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086927039 791853860 /nfs/dbraw/zinc/85/38/60/791853860.db2.gz QKFZERGSWZLWEM-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086927039 791853863 /nfs/dbraw/zinc/85/38/63/791853863.db2.gz QKFZERGSWZLWEM-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159589 792120849 /nfs/dbraw/zinc/12/08/49/792120849.db2.gz SKFWCRVMGAANCM-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159589 792120856 /nfs/dbraw/zinc/12/08/56/792120856.db2.gz SKFWCRVMGAANCM-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092824891 792143836 /nfs/dbraw/zinc/14/38/36/792143836.db2.gz JJJGGWBILZJXOQ-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092824891 792143844 /nfs/dbraw/zinc/14/38/44/792143844.db2.gz JJJGGWBILZJXOQ-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100747364 792825285 /nfs/dbraw/zinc/82/52/85/792825285.db2.gz ISEDLRLDPXACGA-NFOMZHRRSA-N 2 2 304.438 2.039 20 30 DEEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100747364 792825293 /nfs/dbraw/zinc/82/52/93/792825293.db2.gz ISEDLRLDPXACGA-NFOMZHRRSA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789729 792848909 /nfs/dbraw/zinc/84/89/09/792848909.db2.gz IYGIFMAYSDCFIL-UHFFFAOYSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603862 793147213 /nfs/dbraw/zinc/14/72/13/793147213.db2.gz DAODJJKMKBSNSP-HOTGVXAUSA-N 2 2 318.465 2.286 20 30 DEEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068137 793316794 /nfs/dbraw/zinc/31/67/94/793316794.db2.gz HTSQIDVXTLTWRV-FUMNGEBKSA-N 2 2 324.472 2.369 20 30 DEEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068137 793316803 /nfs/dbraw/zinc/31/68/03/793316803.db2.gz HTSQIDVXTLTWRV-FUMNGEBKSA-N 2 2 324.472 2.369 20 30 DEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307730 793394198 /nfs/dbraw/zinc/39/41/98/793394198.db2.gz IVUKINQDBWHMFU-AYOQOUSVSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307730 793394201 /nfs/dbraw/zinc/39/42/01/793394201.db2.gz IVUKINQDBWHMFU-AYOQOUSVSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307730 793394207 /nfs/dbraw/zinc/39/42/07/793394207.db2.gz IVUKINQDBWHMFU-AYOQOUSVSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307730 793394215 /nfs/dbraw/zinc/39/42/15/793394215.db2.gz IVUKINQDBWHMFU-AYOQOUSVSA-N 2 2 313.445 2.142 20 30 DEEDLP C[C@@H](CCCC#N)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495061 793437779 /nfs/dbraw/zinc/43/77/79/793437779.db2.gz MGRRYMJXXLTZEF-JQHSSLGASA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@@H](CCCC#N)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495061 793437782 /nfs/dbraw/zinc/43/77/82/793437782.db2.gz MGRRYMJXXLTZEF-JQHSSLGASA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@@H](CCCC#N)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495061 793437785 /nfs/dbraw/zinc/43/77/85/793437785.db2.gz MGRRYMJXXLTZEF-JQHSSLGASA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@@H](CCCC#N)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495061 793437789 /nfs/dbraw/zinc/43/77/89/793437789.db2.gz MGRRYMJXXLTZEF-JQHSSLGASA-N 2 2 315.465 2.256 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001094935277 793477610 /nfs/dbraw/zinc/47/76/10/793477610.db2.gz RPYRTKWMRAJWRG-CFVMTHIKSA-N 2 2 322.840 2.064 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001094935277 793477611 /nfs/dbraw/zinc/47/76/11/793477611.db2.gz RPYRTKWMRAJWRG-CFVMTHIKSA-N 2 2 322.840 2.064 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094963254 793518801 /nfs/dbraw/zinc/51/88/01/793518801.db2.gz XWAGCZSMDVMHPA-JYJNAYRXSA-N 2 2 324.428 2.493 20 30 DEEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001094966582 793526055 /nfs/dbraw/zinc/52/60/55/793526055.db2.gz YDHBGJCLZHIMLN-BBWFWOEESA-N 2 2 311.429 2.223 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531990 793643887 /nfs/dbraw/zinc/64/38/87/793643887.db2.gz OVIZSNCUCGAIFI-IIAWOOMASA-N 2 2 318.465 2.299 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531990 793643890 /nfs/dbraw/zinc/64/38/90/793643890.db2.gz OVIZSNCUCGAIFI-IIAWOOMASA-N 2 2 318.465 2.299 20 30 DEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209771 794158227 /nfs/dbraw/zinc/15/82/27/794158227.db2.gz LPZCZDSIALAVRX-LSDHHAIUSA-N 2 2 316.449 2.118 20 30 DEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175502440 794226079 /nfs/dbraw/zinc/22/60/79/794226079.db2.gz JDRNNGYKUIORON-CVEARBPZSA-N 2 2 304.438 2.122 20 30 DEEDLP C#Cc1cc(Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc[nH+]1 ZINC001175779789 794287475 /nfs/dbraw/zinc/28/74/75/794287475.db2.gz WTMUUTJTUPNBOT-UHFFFAOYSA-N 2 2 306.413 2.370 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176393383 794413251 /nfs/dbraw/zinc/41/32/51/794413251.db2.gz QSOZTYBMWIYKDZ-HNNXBMFYSA-N 2 2 306.454 2.193 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115724986 794895669 /nfs/dbraw/zinc/89/56/69/794895669.db2.gz DMVCJHPXTINZLL-CQSZACIVSA-N 2 2 316.449 2.424 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752824 794908922 /nfs/dbraw/zinc/90/89/22/794908922.db2.gz XBOIAOWQEBVOKC-INIZCTEOSA-N 2 2 316.449 2.266 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178851507 795011698 /nfs/dbraw/zinc/01/16/98/795011698.db2.gz DFYNPMTZBDSSSQ-MRXNPFEDSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121500937 795640636 /nfs/dbraw/zinc/64/06/36/795640636.db2.gz LAFFGJGRHMAUKC-UHFFFAOYSA-N 2 2 316.449 2.256 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533501 796077475 /nfs/dbraw/zinc/07/74/75/796077475.db2.gz FZHSEKYYOOVFHG-TZMCWYRMSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533501 796077482 /nfs/dbraw/zinc/07/74/82/796077482.db2.gz FZHSEKYYOOVFHG-TZMCWYRMSA-N 2 2 324.856 2.169 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382683 796815470 /nfs/dbraw/zinc/81/54/70/796815470.db2.gz PENSWOXNIXVXPS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382683 796815475 /nfs/dbraw/zinc/81/54/75/796815475.db2.gz PENSWOXNIXVXPS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382683 796815479 /nfs/dbraw/zinc/81/54/79/796815479.db2.gz PENSWOXNIXVXPS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382683 796815482 /nfs/dbraw/zinc/81/54/82/796815482.db2.gz PENSWOXNIXVXPS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP CCCCCCCNC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001191112384 797139531 /nfs/dbraw/zinc/13/95/31/797139531.db2.gz ANUAWNYLQVRRDD-UHFFFAOYSA-N 2 2 312.502 2.282 20 30 DEEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242909 798030908 /nfs/dbraw/zinc/03/09/08/798030908.db2.gz OZWIACMMWAIWTA-KRWDZBQOSA-N 2 2 316.449 2.028 20 30 DEEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242909 798030916 /nfs/dbraw/zinc/03/09/16/798030916.db2.gz OZWIACMMWAIWTA-KRWDZBQOSA-N 2 2 316.449 2.028 20 30 DEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396646 798181561 /nfs/dbraw/zinc/18/15/61/798181561.db2.gz IIFVGGROUXELLV-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396646 798181564 /nfs/dbraw/zinc/18/15/64/798181564.db2.gz IIFVGGROUXELLV-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396646 798181565 /nfs/dbraw/zinc/18/15/65/798181565.db2.gz IIFVGGROUXELLV-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396646 798181567 /nfs/dbraw/zinc/18/15/67/798181567.db2.gz IIFVGGROUXELLV-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506552 798318408 /nfs/dbraw/zinc/31/84/08/798318408.db2.gz WILPFYHQQRQLRS-KFWWJZLASA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506552 798318412 /nfs/dbraw/zinc/31/84/12/798318412.db2.gz WILPFYHQQRQLRS-KFWWJZLASA-N 2 2 302.422 2.030 20 30 DEEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158534209 798423702 /nfs/dbraw/zinc/42/37/02/798423702.db2.gz RFMRSDMNFDCKMO-DLBZAZTESA-N 2 2 316.449 2.170 20 30 DEEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158534209 798423705 /nfs/dbraw/zinc/42/37/05/798423705.db2.gz RFMRSDMNFDCKMO-DLBZAZTESA-N 2 2 316.449 2.170 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158811913 798472890 /nfs/dbraw/zinc/47/28/90/798472890.db2.gz SILUXWSLLJKYHN-QGZVFWFLSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158811913 798472893 /nfs/dbraw/zinc/47/28/93/798472893.db2.gz SILUXWSLLJKYHN-QGZVFWFLSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431110 798687366 /nfs/dbraw/zinc/68/73/66/798687366.db2.gz LZNHQYAFJOWUDM-HZPDHXFCSA-N 2 2 314.433 2.228 20 30 DEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431110 798687370 /nfs/dbraw/zinc/68/73/70/798687370.db2.gz LZNHQYAFJOWUDM-HZPDHXFCSA-N 2 2 314.433 2.228 20 30 DEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431110 798687371 /nfs/dbraw/zinc/68/73/71/798687371.db2.gz LZNHQYAFJOWUDM-HZPDHXFCSA-N 2 2 314.433 2.228 20 30 DEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431110 798687373 /nfs/dbraw/zinc/68/73/73/798687373.db2.gz LZNHQYAFJOWUDM-HZPDHXFCSA-N 2 2 314.433 2.228 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095621017 799673504 /nfs/dbraw/zinc/67/35/04/799673504.db2.gz LDSLNLFOKQUMDP-KMFMINBZSA-N 2 2 310.401 2.474 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095621017 799673509 /nfs/dbraw/zinc/67/35/09/799673509.db2.gz LDSLNLFOKQUMDP-KMFMINBZSA-N 2 2 310.401 2.474 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660038 800102588 /nfs/dbraw/zinc/10/25/88/800102588.db2.gz NUDZKTVMKJVCQR-HOTGVXAUSA-N 2 2 316.449 2.244 20 30 DEEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)cc1 ZINC001204301006 800202128 /nfs/dbraw/zinc/20/21/28/800202128.db2.gz ZDXVQSMHTCTWJK-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)cc1 ZINC001204301006 800202133 /nfs/dbraw/zinc/20/21/33/800202133.db2.gz ZDXVQSMHTCTWJK-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001204301006 800202136 /nfs/dbraw/zinc/20/21/36/800202136.db2.gz ZDXVQSMHTCTWJK-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001204301006 800202139 /nfs/dbraw/zinc/20/21/39/800202139.db2.gz ZDXVQSMHTCTWJK-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206402034 800525564 /nfs/dbraw/zinc/52/55/64/800525564.db2.gz KUPOXEHLRMJGTO-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206431045 800531253 /nfs/dbraw/zinc/53/12/53/800531253.db2.gz IMANHDHDLPCBIF-CQSZACIVSA-N 2 2 324.856 2.415 20 30 DEEDLP C[NH+](C)CC(C)(C)C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001207287830 800725051 /nfs/dbraw/zinc/72/50/51/800725051.db2.gz GOVPTUBVAGCGAN-UHFFFAOYSA-N 2 2 300.450 2.268 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299607 800948281 /nfs/dbraw/zinc/94/82/81/800948281.db2.gz PUUXSIXOUOYCBZ-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299607 800948284 /nfs/dbraw/zinc/94/82/84/800948284.db2.gz PUUXSIXOUOYCBZ-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCCCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229355973 801262328 /nfs/dbraw/zinc/26/23/28/801262328.db2.gz RSFMAQHZKBHISR-UHFFFAOYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229392445 801269745 /nfs/dbraw/zinc/26/97/45/801269745.db2.gz AIUHAGSPICIXPL-OAHLLOKOSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214950264 801781794 /nfs/dbraw/zinc/78/17/94/801781794.db2.gz OSCQASPRTTYYTP-GDBMZVCRSA-N 2 2 317.433 2.035 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221923 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1082050439 /nfs/dbraw/zinc/05/04/39/1082050439.db2.gz LCBKKAYDIREKQC-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001280822874 1083379078 /nfs/dbraw/zinc/37/90/78/1083379078.db2.gz OJDIWGGAVXDYKX-MRXNPFEDSA-N 2 2 318.465 2.192 20 30 DEEDLP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001280822874 1083379087 /nfs/dbraw/zinc/37/90/87/1083379087.db2.gz OJDIWGGAVXDYKX-MRXNPFEDSA-N 2 2 318.465 2.192 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654771 1083561386 /nfs/dbraw/zinc/56/13/86/1083561386.db2.gz IHSMKWRDARWMIX-SJLPKXTDSA-N 2 2 316.449 2.210 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654771 1083561396 /nfs/dbraw/zinc/56/13/96/1083561396.db2.gz IHSMKWRDARWMIX-SJLPKXTDSA-N 2 2 316.449 2.210 20 30 DEEDLP C#CCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001276973726 1083712013 /nfs/dbraw/zinc/71/20/13/1083712013.db2.gz SQBBXCQQZFHVKR-CQSZACIVSA-N 2 2 308.385 2.008 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490904330 1083884010 /nfs/dbraw/zinc/88/40/10/1083884010.db2.gz ADQZETIJZXCLDR-FZKCQIBNSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486186173 1085114985 /nfs/dbraw/zinc/11/49/85/1085114985.db2.gz HLKQVJAMSIZBKL-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486186173 1085114989 /nfs/dbraw/zinc/11/49/89/1085114989.db2.gz HLKQVJAMSIZBKL-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000964207147 1085175354 /nfs/dbraw/zinc/17/53/54/1085175354.db2.gz KWNIGLJXGBKTKN-UHFFFAOYSA-N 2 2 304.438 2.233 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961288835 1085674198 /nfs/dbraw/zinc/67/41/98/1085674198.db2.gz UQXOGWZYMOIIKE-IAGOWNOFSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961288835 1085674201 /nfs/dbraw/zinc/67/42/01/1085674201.db2.gz UQXOGWZYMOIIKE-IAGOWNOFSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373908 1086432300 /nfs/dbraw/zinc/43/23/00/1086432300.db2.gz LXFRQIGIZRMNEG-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373908 1086432304 /nfs/dbraw/zinc/43/23/04/1086432304.db2.gz LXFRQIGIZRMNEG-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409534 1086446297 /nfs/dbraw/zinc/44/62/97/1086446297.db2.gz XVEGFYQUVWVJPV-WBVHZDCISA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409534 1086446301 /nfs/dbraw/zinc/44/63/01/1086446301.db2.gz XVEGFYQUVWVJPV-WBVHZDCISA-N 2 2 316.449 2.150 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085046472 1090615128 /nfs/dbraw/zinc/61/51/28/1090615128.db2.gz ZDTAZTYPEWETBP-ZACQAIPSSA-N 2 2 316.449 2.333 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085046472 1090615130 /nfs/dbraw/zinc/61/51/30/1090615130.db2.gz ZDTAZTYPEWETBP-ZACQAIPSSA-N 2 2 316.449 2.333 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276041720 1091473114 /nfs/dbraw/zinc/47/31/14/1091473114.db2.gz YRAGUPXZEOYBRC-ROUUACIJSA-N 2 2 318.465 2.015 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276041720 1091473122 /nfs/dbraw/zinc/47/31/22/1091473122.db2.gz YRAGUPXZEOYBRC-ROUUACIJSA-N 2 2 318.465 2.015 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001273466391 1091860930 /nfs/dbraw/zinc/86/09/30/1091860930.db2.gz GXXAFVKWZOBVJH-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C#CCCC[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001275975403 1092415002 /nfs/dbraw/zinc/41/50/02/1092415002.db2.gz BJEIYZASGFGANN-UHFFFAOYSA-N 2 2 300.450 2.214 20 30 DEEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001318643530 1140377879 /nfs/dbraw/zinc/37/78/79/1140377879.db2.gz WKIQQFHYJQMQOQ-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001319113603 1140506568 /nfs/dbraw/zinc/50/65/68/1140506568.db2.gz LZVCHRIMGIXEDJ-JKSUJKDBSA-N 2 2 304.438 2.381 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001245993388 1140843234 /nfs/dbraw/zinc/84/32/34/1140843234.db2.gz JYBJFYBLLWSFFF-BRWVUGGUSA-N 2 2 300.487 2.191 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246034376 1140851269 /nfs/dbraw/zinc/85/12/69/1140851269.db2.gz NGKULFRCPUHBDT-DLBZAZTESA-N 2 2 300.487 2.144 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246034376 1140851272 /nfs/dbraw/zinc/85/12/72/1140851272.db2.gz NGKULFRCPUHBDT-DLBZAZTESA-N 2 2 300.487 2.144 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C2)C1 ZINC001246553301 1140959529 /nfs/dbraw/zinc/95/95/29/1140959529.db2.gz YAPIONDCFOHFGI-LZLYRXPVSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C2)C1 ZINC001246553301 1140959551 /nfs/dbraw/zinc/95/95/51/1140959551.db2.gz YAPIONDCFOHFGI-LZLYRXPVSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246722993 1141043645 /nfs/dbraw/zinc/04/36/45/1141043645.db2.gz PCTMADWYFLJRKP-BSDSXHPESA-N 2 2 308.466 2.201 20 30 DEEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246722993 1141043657 /nfs/dbraw/zinc/04/36/57/1141043657.db2.gz PCTMADWYFLJRKP-BSDSXHPESA-N 2 2 308.466 2.201 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001322336567 1141530168 /nfs/dbraw/zinc/53/01/68/1141530168.db2.gz JXUSLQCHIYLPSM-ZBFHGGJFSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001322336567 1141530183 /nfs/dbraw/zinc/53/01/83/1141530183.db2.gz JXUSLQCHIYLPSM-ZBFHGGJFSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001278572005 1142213309 /nfs/dbraw/zinc/21/33/09/1142213309.db2.gz KNVXXPLPCJTNQP-SFHVURJKSA-N 2 2 318.465 2.482 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001278668560 1142733033 /nfs/dbraw/zinc/73/30/33/1142733033.db2.gz OVOFODITXVZOBY-IBGZPJMESA-N 2 2 324.428 2.190 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001278668560 1142733041 /nfs/dbraw/zinc/73/30/41/1142733041.db2.gz OVOFODITXVZOBY-IBGZPJMESA-N 2 2 324.428 2.190 20 30 DEEDLP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001278912180 1143830312 /nfs/dbraw/zinc/83/03/12/1143830312.db2.gz LCSWKLHSXMXANJ-MRXNPFEDSA-N 2 2 318.465 2.190 20 30 DEEDLP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001278912180 1143830314 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DEEDLP C=CCC[C@H](C)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001258723386 1144035381 /nfs/dbraw/zinc/03/53/81/1144035381.db2.gz TYHKZGSIYNDGDF-INIZCTEOSA-N 2 2 315.461 2.451 20 30 DEEDLP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001263954938 1144431588 /nfs/dbraw/zinc/43/15/88/1144431588.db2.gz DVQKITMUDVYDBS-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378587 1144520209 /nfs/dbraw/zinc/52/02/09/1144520209.db2.gz MVADGEPZGCIRFW-UKRRQHHQSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378587 1144520215 /nfs/dbraw/zinc/52/02/15/1144520215.db2.gz MVADGEPZGCIRFW-UKRRQHHQSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265703747 1144731232 /nfs/dbraw/zinc/73/12/32/1144731232.db2.gz UDCPRQVKOTYSIO-CVEARBPZSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265703747 1144731236 /nfs/dbraw/zinc/73/12/36/1144731236.db2.gz UDCPRQVKOTYSIO-CVEARBPZSA-N 2 2 318.465 2.329 20 30 DEEDLP CC#CC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281030982 1144869116 /nfs/dbraw/zinc/86/91/16/1144869116.db2.gz IECJPWJTYZPFCY-INIZCTEOSA-N 2 2 316.449 2.218 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316610440 1144885494 /nfs/dbraw/zinc/88/54/94/1144885494.db2.gz JATFSVFNNUXGET-SJORKVTESA-N 2 2 301.434 2.008 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316610440 1144885496 /nfs/dbraw/zinc/88/54/96/1144885496.db2.gz JATFSVFNNUXGET-SJORKVTESA-N 2 2 301.434 2.008 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284957354 1145992547 /nfs/dbraw/zinc/99/25/47/1145992547.db2.gz PXZIBNBURPGBEE-AWEZNQCLSA-N 2 2 302.422 2.055 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284957354 1145992549 /nfs/dbraw/zinc/99/25/49/1145992549.db2.gz PXZIBNBURPGBEE-AWEZNQCLSA-N 2 2 302.422 2.055 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001326521306 1148129508 /nfs/dbraw/zinc/12/95/08/1148129508.db2.gz LAQWVJWPRYLQSY-SHTZXODSSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001326521306 1148129511 /nfs/dbraw/zinc/12/95/11/1148129511.db2.gz LAQWVJWPRYLQSY-SHTZXODSSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001326774040 1148241073 /nfs/dbraw/zinc/24/10/73/1148241073.db2.gz RTQOJIZJMXCNSD-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000181746306 199346312 /nfs/dbraw/zinc/34/63/12/199346312.db2.gz WTZSQIXGHHOBLE-OALUTQOASA-N 2 2 313.445 2.416 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000286972009 219251856 /nfs/dbraw/zinc/25/18/56/219251856.db2.gz IMILEPPQCVJTRI-UHFFFAOYSA-N 2 2 311.429 2.459 20 30 DEEDLP COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000174253227 198310826 /nfs/dbraw/zinc/31/08/26/198310826.db2.gz WXOFBNYNYSMUPQ-GJZGRUSLSA-N 2 2 317.433 2.156 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961124 355395696 /nfs/dbraw/zinc/39/56/96/355395696.db2.gz QBBOZIHWKHJKRN-AWEZNQCLSA-N 2 2 309.373 2.099 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961124 355395697 /nfs/dbraw/zinc/39/56/97/355395697.db2.gz QBBOZIHWKHJKRN-AWEZNQCLSA-N 2 2 309.373 2.099 20 30 DEEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000088717145 355518307 /nfs/dbraw/zinc/51/83/07/355518307.db2.gz HQCFJVCTDREMTK-LPHOPBHVSA-N 2 2 312.461 2.399 20 30 DEEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000088717145 355518310 /nfs/dbraw/zinc/51/83/10/355518310.db2.gz HQCFJVCTDREMTK-LPHOPBHVSA-N 2 2 312.461 2.399 20 30 DEEDLP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1C#N ZINC000618593820 363542362 /nfs/dbraw/zinc/54/23/62/363542362.db2.gz YSSFTLKOGPPGID-LJQANCHMSA-N 2 2 312.461 2.079 20 30 DEEDLP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1C#N ZINC000618593820 363542365 /nfs/dbraw/zinc/54/23/65/363542365.db2.gz YSSFTLKOGPPGID-LJQANCHMSA-N 2 2 312.461 2.079 20 30 DEEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc12 ZINC000581072030 357126470 /nfs/dbraw/zinc/12/64/70/357126470.db2.gz SKSLQNSVOOGFLE-KRWDZBQOSA-N 2 2 324.432 2.051 20 30 DEEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc12 ZINC000581072030 357126473 /nfs/dbraw/zinc/12/64/73/357126473.db2.gz SKSLQNSVOOGFLE-KRWDZBQOSA-N 2 2 324.432 2.051 20 30 DEEDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000275443148 212333985 /nfs/dbraw/zinc/33/39/85/212333985.db2.gz GANVUDUSKPHLOT-WMLDXEAASA-N 2 2 314.364 2.441 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267476385 206095150 /nfs/dbraw/zinc/09/51/50/206095150.db2.gz ZHBYVGDPHGCAFN-LSDHHAIUSA-N 2 2 302.422 2.178 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267476385 206095154 /nfs/dbraw/zinc/09/51/54/206095154.db2.gz ZHBYVGDPHGCAFN-LSDHHAIUSA-N 2 2 302.422 2.178 20 30 DEEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289521487 221038518 /nfs/dbraw/zinc/03/85/18/221038518.db2.gz BCVZLIVGGHKGAG-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289521487 221038520 /nfs/dbraw/zinc/03/85/20/221038520.db2.gz BCVZLIVGGHKGAG-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289521487 221038521 /nfs/dbraw/zinc/03/85/21/221038521.db2.gz BCVZLIVGGHKGAG-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289521487 221038523 /nfs/dbraw/zinc/03/85/23/221038523.db2.gz BCVZLIVGGHKGAG-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000076898283 401800842 /nfs/dbraw/zinc/80/08/42/401800842.db2.gz JVVMCBONGFNCTH-INIZCTEOSA-N 2 2 304.434 2.452 20 30 DEEDLP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000108370358 402251669 /nfs/dbraw/zinc/25/16/69/402251669.db2.gz QNQJQHQAQRCROO-UHFFFAOYSA-N 2 2 320.462 2.411 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187220389 402488921 /nfs/dbraw/zinc/48/89/21/402488921.db2.gz HIEJXPDUBPOJNI-UHFFFAOYSA-N 2 2 313.445 2.336 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(CO)CCCC3)CC2)cc1 ZINC000182331298 402681661 /nfs/dbraw/zinc/68/16/61/402681661.db2.gz FCZPUKOBOMKSQS-UHFFFAOYSA-N 2 2 313.445 2.417 20 30 DEEDLP C=C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274679294 403078068 /nfs/dbraw/zinc/07/80/68/403078068.db2.gz WJPPSXAWCPWGEY-QGZVFWFLSA-N 2 2 301.434 2.058 20 30 DEEDLP C=CCCCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275872466 403129874 /nfs/dbraw/zinc/12/98/74/403129874.db2.gz ZZBAFSZKRJGFHG-OAHLLOKOSA-N 2 2 316.449 2.247 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172903 403968706 /nfs/dbraw/zinc/96/87/06/403968706.db2.gz GUFZZJSKDKMYKY-KSZLIROESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172903 403968712 /nfs/dbraw/zinc/96/87/12/403968712.db2.gz GUFZZJSKDKMYKY-KSZLIROESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172903 403968717 /nfs/dbraw/zinc/96/87/17/403968717.db2.gz GUFZZJSKDKMYKY-KSZLIROESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172903 403968721 /nfs/dbraw/zinc/96/87/21/403968721.db2.gz GUFZZJSKDKMYKY-KSZLIROESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365085945 404558202 /nfs/dbraw/zinc/55/82/02/404558202.db2.gz RWZKCABMJIKGFD-QGZVFWFLSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365085945 404558209 /nfs/dbraw/zinc/55/82/09/404558209.db2.gz RWZKCABMJIKGFD-QGZVFWFLSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nn1 ZINC000424295960 405061520 /nfs/dbraw/zinc/06/15/20/405061520.db2.gz NWJFSZXEADLHJC-FUHWJXTLSA-N 2 2 311.433 2.389 20 30 DEEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nn1 ZINC000424295960 405061525 /nfs/dbraw/zinc/06/15/25/405061525.db2.gz NWJFSZXEADLHJC-FUHWJXTLSA-N 2 2 311.433 2.389 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000420387737 405341173 /nfs/dbraw/zinc/34/11/73/405341173.db2.gz KWTZFYOHAFGTLE-CQSZACIVSA-N 2 2 309.479 2.193 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000420387737 405341176 /nfs/dbraw/zinc/34/11/76/405341176.db2.gz KWTZFYOHAFGTLE-CQSZACIVSA-N 2 2 309.479 2.193 20 30 DEEDLP C=CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC)c1O ZINC000427135404 405391151 /nfs/dbraw/zinc/39/11/51/405391151.db2.gz CPVWLYVJZMMQQN-JKSUJKDBSA-N 2 2 302.418 2.313 20 30 DEEDLP C=CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC)c1O ZINC000427135404 405391152 /nfs/dbraw/zinc/39/11/52/405391152.db2.gz CPVWLYVJZMMQQN-JKSUJKDBSA-N 2 2 302.418 2.313 20 30 DEEDLP C(#CC[N@@H+]1CCC[C@H]1c1cn[nH]c1)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639775946 406247097 /nfs/dbraw/zinc/24/70/97/406247097.db2.gz HVHRTNVWVXYNNT-ROUUACIJSA-N 2 2 324.432 2.110 20 30 DEEDLP C(#CC[N@H+]1CCC[C@H]1c1cn[nH]c1)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639775946 406247098 /nfs/dbraw/zinc/24/70/98/406247098.db2.gz HVHRTNVWVXYNNT-ROUUACIJSA-N 2 2 324.432 2.110 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644635691 407157939 /nfs/dbraw/zinc/15/79/39/407157939.db2.gz PRDRHQMXQUOVJL-MRXNPFEDSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644635691 407157942 /nfs/dbraw/zinc/15/79/42/407157942.db2.gz PRDRHQMXQUOVJL-MRXNPFEDSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000132673020 196275494 /nfs/dbraw/zinc/27/54/94/196275494.db2.gz FGLBVNQAHVXNQS-GOSISDBHSA-N 2 2 314.477 2.492 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000132673020 196275495 /nfs/dbraw/zinc/27/54/95/196275495.db2.gz FGLBVNQAHVXNQS-GOSISDBHSA-N 2 2 314.477 2.492 20 30 DEEDLP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000261993847 225261579 /nfs/dbraw/zinc/26/15/79/225261579.db2.gz NCLVHUXHKKAMEO-ZDUSSCGKSA-N 2 2 306.479 2.153 20 30 DEEDLP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCc3sccc3C2)C1 ZINC000261993847 225261581 /nfs/dbraw/zinc/26/15/81/225261581.db2.gz NCLVHUXHKKAMEO-ZDUSSCGKSA-N 2 2 306.479 2.153 20 30 DEEDLP Cc1ccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1C ZINC000262544206 225278021 /nfs/dbraw/zinc/27/80/21/225278021.db2.gz UGOCVQIJAJLZTP-UHFFFAOYSA-N 2 2 300.410 2.030 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297867 425617560 /nfs/dbraw/zinc/61/75/60/425617560.db2.gz RNTYQUHEEUSABZ-CYBMUJFWSA-N 2 2 309.479 2.320 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297867 425617563 /nfs/dbraw/zinc/61/75/63/425617563.db2.gz RNTYQUHEEUSABZ-CYBMUJFWSA-N 2 2 309.479 2.320 20 30 DEEDLP C=CC[C@@]1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCC[NH2+]1 ZINC000662673251 425709433 /nfs/dbraw/zinc/70/94/33/425709433.db2.gz JTZLDSVDIKFXHW-INIZCTEOSA-N 2 2 318.808 2.302 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001328295015 1148767731 /nfs/dbraw/zinc/76/77/31/1148767731.db2.gz RBNRFOLWQZZTHT-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001328295015 1148767739 /nfs/dbraw/zinc/76/77/39/1148767739.db2.gz RBNRFOLWQZZTHT-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000573741131 326087812 /nfs/dbraw/zinc/08/78/12/326087812.db2.gz FCGFSMFOYWTLBI-CQSZACIVSA-N 2 2 305.447 2.306 20 30 DEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000573741131 326087814 /nfs/dbraw/zinc/08/78/14/326087814.db2.gz FCGFSMFOYWTLBI-CQSZACIVSA-N 2 2 305.447 2.306 20 30 DEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000562985801 333010803 /nfs/dbraw/zinc/01/08/03/333010803.db2.gz TTYAFMGZQFIHJN-DOTOQJQBSA-N 2 2 315.417 2.030 20 30 DEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451614459 534608408 /nfs/dbraw/zinc/60/84/08/534608408.db2.gz QPPUOACWTAYLKA-OTWHNJEPSA-N 2 2 316.445 2.211 20 30 DEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451614459 534608417 /nfs/dbraw/zinc/60/84/17/534608417.db2.gz QPPUOACWTAYLKA-OTWHNJEPSA-N 2 2 316.445 2.211 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000294869028 526828097 /nfs/dbraw/zinc/82/80/97/526828097.db2.gz CONRVJMEGXCPIX-UYAOXDASSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000294869028 526828101 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312.845 2.116 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439331113 1181026291 /nfs/dbraw/zinc/02/62/91/1181026291.db2.gz WTTFLLOTZUMHCS-AWEZNQCLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439331113 1181026295 /nfs/dbraw/zinc/02/62/95/1181026295.db2.gz WTTFLLOTZUMHCS-AWEZNQCLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089410765 783078725 /nfs/dbraw/zinc/07/87/25/783078725.db2.gz ULTIGWABIXKQMO-RBSFLKMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089410765 783078733 /nfs/dbraw/zinc/07/87/33/783078733.db2.gz ULTIGWABIXKQMO-RBSFLKMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089410765 783078740 /nfs/dbraw/zinc/07/87/40/783078740.db2.gz ULTIGWABIXKQMO-RBSFLKMASA-N 2 2 316.449 2.306 20 30 DEEDLP 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C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088816500 781045963 /nfs/dbraw/zinc/04/59/63/781045963.db2.gz FBDIDSXAHSROMU-XGUBFFRZSA-N 2 2 313.873 2.048 20 30 DEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659077 783330066 /nfs/dbraw/zinc/33/00/66/783330066.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659077 783330077 /nfs/dbraw/zinc/33/00/77/783330077.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659077 783330087 /nfs/dbraw/zinc/33/00/87/783330087.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659077 783330095 /nfs/dbraw/zinc/33/00/95/783330095.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 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PPEVVSPPIXCIRB-NUJGCVRESA-N 2 2 316.449 2.191 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057325 791926567 /nfs/dbraw/zinc/92/65/67/791926567.db2.gz PPEVVSPPIXCIRB-NUJGCVRESA-N 2 2 316.449 2.191 20 30 DEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251509 792153492 /nfs/dbraw/zinc/15/34/92/792153492.db2.gz KRQLOMOEEYXKKH-HZPDHXFCSA-N 2 2 316.449 2.074 20 30 DEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251509 792153497 /nfs/dbraw/zinc/15/34/97/792153497.db2.gz KRQLOMOEEYXKKH-HZPDHXFCSA-N 2 2 316.449 2.074 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323769 792171638 /nfs/dbraw/zinc/17/16/38/792171638.db2.gz ASVKUDJIZNPUEF-CQSZACIVSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323769 792171642 /nfs/dbraw/zinc/17/16/42/792171642.db2.gz ASVKUDJIZNPUEF-CQSZACIVSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528817 792706403 /nfs/dbraw/zinc/70/64/03/792706403.db2.gz UAPIOCACRSFPFY-FHERZECASA-N 2 2 318.465 2.192 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414393 793608032 /nfs/dbraw/zinc/60/80/32/793608032.db2.gz ATGDDGYJHGKTBC-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414393 793608038 /nfs/dbraw/zinc/60/80/38/793608038.db2.gz ATGDDGYJHGKTBC-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483090 793630450 /nfs/dbraw/zinc/63/04/50/793630450.db2.gz XEDCRJUFKNFIJX-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483090 793630456 /nfs/dbraw/zinc/63/04/56/793630456.db2.gz XEDCRJUFKNFIJX-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774944 794220414 /nfs/dbraw/zinc/22/04/14/794220414.db2.gz ZTDRFIOAZPPXHR-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774944 794220418 /nfs/dbraw/zinc/22/04/18/794220418.db2.gz ZTDRFIOAZPPXHR-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178810414 795002478 /nfs/dbraw/zinc/00/24/78/795002478.db2.gz FPUMQAAEUGOTIQ-UHFFFAOYSA-N 2 2 319.449 2.475 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179516477 795125085 /nfs/dbraw/zinc/12/50/85/795125085.db2.gz CEWJFHHJKGQMOZ-KKUMJFAQSA-N 2 2 316.449 2.375 20 30 DEEDLP CC#CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705790 795162169 /nfs/dbraw/zinc/16/21/69/795162169.db2.gz NUQMEKPZRYYRON-MRXNPFEDSA-N 2 2 304.438 2.124 20 30 DEEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC001120501177 795473835 /nfs/dbraw/zinc/47/38/35/795473835.db2.gz UOAQHYIQKDJNBI-UHFFFAOYSA-N 2 2 319.836 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ZINC001192427478 797382432 /nfs/dbraw/zinc/38/24/32/797382432.db2.gz XSKIFJPXPPPBFQ-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427478 797382438 /nfs/dbraw/zinc/38/24/38/797382438.db2.gz XSKIFJPXPPPBFQ-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C[NH+]1CCN(c2cccc(NCc3ccccc3C#N)[nH+]2)CC1 ZINC001156786856 798082015 /nfs/dbraw/zinc/08/20/15/798082015.db2.gz OZBCSLKOWURLBH-UHFFFAOYSA-N 2 2 307.401 2.317 20 30 DEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993662 798986896 /nfs/dbraw/zinc/98/68/96/798986896.db2.gz HFSRZHAZMSZWHV-UHFFFAOYSA-N 2 2 316.449 2.378 20 30 DEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993662 798986901 /nfs/dbraw/zinc/98/69/01/798986901.db2.gz HFSRZHAZMSZWHV-UHFFFAOYSA-N 2 2 316.449 2.378 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711106 799765072 /nfs/dbraw/zinc/76/50/72/799765072.db2.gz FDBAMSXEYJDXSB-UHFFFAOYSA-N 2 2 317.433 2.085 20 30 DEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138347 799832759 /nfs/dbraw/zinc/83/27/59/799832759.db2.gz KXOBAIZHLAOWSY-UHFFFAOYSA-N 2 2 312.417 2.400 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659846 800101726 /nfs/dbraw/zinc/10/17/26/800101726.db2.gz MKXNQYRWXHDQJH-HZPDHXFCSA-N 2 2 316.449 2.244 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205805604 800424395 /nfs/dbraw/zinc/42/43/95/800424395.db2.gz QNTUKOPECQOKFF-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533489 800549325 /nfs/dbraw/zinc/54/93/25/800549325.db2.gz LHIPKQQXKSNQHZ-OAHLLOKOSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533489 800549330 /nfs/dbraw/zinc/54/93/30/800549330.db2.gz LHIPKQQXKSNQHZ-OAHLLOKOSA-N 2 2 318.465 2.383 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208807168 801073061 /nfs/dbraw/zinc/07/30/61/801073061.db2.gz NTWPUZFMQPBHKQ-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCCC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001209161753 801140338 /nfs/dbraw/zinc/14/03/38/801140338.db2.gz CXISXJFSIFPURM-UHFFFAOYSA-N 2 2 301.438 2.165 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683022 801305479 /nfs/dbraw/zinc/30/54/79/801305479.db2.gz MTLQCDNQEBSKCP-DJIMGWMZSA-N 2 2 318.465 2.334 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210053510 801328310 /nfs/dbraw/zinc/32/83/10/801328310.db2.gz WMGJVGUHVGWJAZ-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210053510 801328318 /nfs/dbraw/zinc/32/83/18/801328318.db2.gz WMGJVGUHVGWJAZ-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230018506 801348625 /nfs/dbraw/zinc/34/86/25/801348625.db2.gz BFTDKUIFUYXEEO-IAGOWNOFSA-N 2 2 318.465 2.336 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450363 801568579 /nfs/dbraw/zinc/56/85/79/801568579.db2.gz WHGPYJOFROIMOV-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450363 801568586 /nfs/dbraw/zinc/56/85/86/801568586.db2.gz WHGPYJOFROIMOV-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)c1 ZINC001231623052 801698409 /nfs/dbraw/zinc/69/84/09/801698409.db2.gz RNBJYGHYGKNCKB-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)c1 ZINC001231623052 801698413 /nfs/dbraw/zinc/69/84/13/801698413.db2.gz RNBJYGHYGKNCKB-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c1 ZINC001231623052 801698416 /nfs/dbraw/zinc/69/84/16/801698416.db2.gz RNBJYGHYGKNCKB-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c1 ZINC001231623052 801698420 /nfs/dbraw/zinc/69/84/20/801698420.db2.gz RNBJYGHYGKNCKB-PKOBYXMFSA-N 2 2 316.445 2.404 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706007 801896138 /nfs/dbraw/zinc/89/61/38/801896138.db2.gz VJRPGZXUHJBSHD-BZUAXINKSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2sncc2C)CC1 ZINC001233322336 802076003 /nfs/dbraw/zinc/07/60/03/802076003.db2.gz ATASKWDKMOEWAE-UHFFFAOYSA-N 2 2 320.506 2.243 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)C1=O ZINC001233361691 802084810 /nfs/dbraw/zinc/08/48/10/802084810.db2.gz ZYTRNAHLSYNKDA-LJQANCHMSA-N 2 2 324.428 2.335 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)C1=O ZINC001233361691 802084817 /nfs/dbraw/zinc/08/48/17/802084817.db2.gz ZYTRNAHLSYNKDA-LJQANCHMSA-N 2 2 324.428 2.335 20 30 DEEDLP C=CCCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223980112 802828069 /nfs/dbraw/zinc/82/80/69/802828069.db2.gz BCZYPLDASUVTOZ-UHFFFAOYSA-N 2 2 304.438 2.068 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331293497 1149412741 /nfs/dbraw/zinc/41/27/41/1149412741.db2.gz COGWFJAFJHFOCZ-MRXNPFEDSA-N 2 2 318.465 2.329 20 30 DEEDLP CC#CC[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001574970676 1069315332 /nfs/dbraw/zinc/31/53/32/1069315332.db2.gz XYVYIFNHAWLQNT-OCCSQVGLSA-N 2 2 320.462 2.054 20 30 DEEDLP CC#CC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001574970676 1069315345 /nfs/dbraw/zinc/31/53/45/1069315345.db2.gz XYVYIFNHAWLQNT-OCCSQVGLSA-N 2 2 320.462 2.054 20 30 DEEDLP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001501684581 1059634451 /nfs/dbraw/zinc/63/44/51/1059634451.db2.gz VLFCUCNFWDOXDB-OAHLLOKOSA-N 2 2 312.417 2.426 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001471859227 1060329113 /nfs/dbraw/zinc/32/91/13/1060329113.db2.gz JUTSFCUYHYIFFA-INIZCTEOSA-N 2 2 314.433 2.035 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001502836062 1060346363 /nfs/dbraw/zinc/34/63/63/1060346363.db2.gz HMTMIRFFZFDHPY-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001502836062 1060346385 /nfs/dbraw/zinc/34/63/85/1060346385.db2.gz HMTMIRFFZFDHPY-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001505937465 1061153959 /nfs/dbraw/zinc/15/39/59/1061153959.db2.gz FHCDMTJIPIUTOH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001505937465 1061153960 /nfs/dbraw/zinc/15/39/60/1061153960.db2.gz FHCDMTJIPIUTOH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001505937465 1061153965 /nfs/dbraw/zinc/15/39/65/1061153965.db2.gz FHCDMTJIPIUTOH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001505937465 1061153972 /nfs/dbraw/zinc/15/39/72/1061153972.db2.gz FHCDMTJIPIUTOH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001479379194 1061426029 /nfs/dbraw/zinc/42/60/29/1061426029.db2.gz GFELVZDFEWKTLP-WKILWMFISA-N 2 2 318.465 2.377 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479478709 1061472054 /nfs/dbraw/zinc/47/20/54/1061472054.db2.gz KZPAQSPQGNYRET-OWCLPIDISA-N 2 2 304.438 2.285 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480621979 1063113969 /nfs/dbraw/zinc/11/39/69/1063113969.db2.gz JTFFUGUKXAELCN-KGLIPLIRSA-N 2 2 304.438 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001507381914 1063198167 /nfs/dbraw/zinc/19/81/67/1063198167.db2.gz DASHNRDXSNRFER-WBVHZDCISA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001507381914 1063198185 /nfs/dbraw/zinc/19/81/85/1063198185.db2.gz DASHNRDXSNRFER-WBVHZDCISA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001507963542 1063482581 /nfs/dbraw/zinc/48/25/81/1063482581.db2.gz MFARJKGBGZRYRX-HOCLYGCPSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001508149126 1063581910 /nfs/dbraw/zinc/58/19/10/1063581910.db2.gz OTXSVLFRZQAQSG-HPUBIQBYSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001567712665 1064369618 /nfs/dbraw/zinc/36/96/18/1064369618.db2.gz OSHIBPONVCFIKM-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001567712665 1064369626 /nfs/dbraw/zinc/36/96/26/1064369626.db2.gz OSHIBPONVCFIKM-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567775144 1064414916 /nfs/dbraw/zinc/41/49/16/1064414916.db2.gz PLXZPBOATGLGHF-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567775144 1064414921 /nfs/dbraw/zinc/41/49/21/1064414921.db2.gz PLXZPBOATGLGHF-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567775144 1064414925 /nfs/dbraw/zinc/41/49/25/1064414925.db2.gz PLXZPBOATGLGHF-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567775144 1064414928 /nfs/dbraw/zinc/41/49/28/1064414928.db2.gz PLXZPBOATGLGHF-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001494904248 1064558893 /nfs/dbraw/zinc/55/88/93/1064558893.db2.gz DCIDPTGOVUFLBX-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001494904248 1064558909 /nfs/dbraw/zinc/55/89/09/1064558909.db2.gz DCIDPTGOVUFLBX-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568330441 1064781084 /nfs/dbraw/zinc/78/10/84/1064781084.db2.gz AHLOSKILTHJOOT-MRXNPFEDSA-N 2 2 318.465 2.070 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569163102 1065331233 /nfs/dbraw/zinc/33/12/33/1065331233.db2.gz BUYVWBIIRDMWEF-GOEBONIOSA-N 2 2 324.428 2.464 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001496371242 1065432943 /nfs/dbraw/zinc/43/29/43/1065432943.db2.gz YZLXTVISDIZRKC-HUUCEWRRSA-N 2 2 318.465 2.480 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001569709014 1065681500 /nfs/dbraw/zinc/68/15/00/1065681500.db2.gz ONPYZYUTWNEREO-UHFFFAOYSA-N 2 2 304.438 2.068 20 30 DEEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001569815052 1065736155 /nfs/dbraw/zinc/73/61/55/1065736155.db2.gz XVTLKGLXOXVYQQ-ZIAGYGMSSA-N 2 2 310.401 2.026 20 30 DEEDLP C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C[NH3+] ZINC001576734620 1066674250 /nfs/dbraw/zinc/67/42/50/1066674250.db2.gz DKISQYAEUMLWBW-DOMZBBRYSA-N 2 2 311.389 2.025 20 30 DEEDLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C[NH3+] ZINC001576734620 1066674257 /nfs/dbraw/zinc/67/42/57/1066674257.db2.gz DKISQYAEUMLWBW-DOMZBBRYSA-N 2 2 311.389 2.025 20 30 DEEDLP N#Cc1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC001580069590 1067488852 /nfs/dbraw/zinc/48/88/52/1067488852.db2.gz DSPQHHWRSFGDGE-INIZCTEOSA-N 2 2 316.424 2.209 20 30 DEEDLP N#Cc1ccc(NCC[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)nc1 ZINC001580070134 1067489051 /nfs/dbraw/zinc/48/90/51/1067489051.db2.gz PLAWMOUPOAIXLX-ROUUACIJSA-N 2 2 321.428 2.100 20 30 DEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001649989977 1079343288 /nfs/dbraw/zinc/34/32/88/1079343288.db2.gz VQRDCYHVHVNNRY-CVEARBPZSA-N 2 2 316.449 2.119 20 30 DEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001649989977 1079343296 /nfs/dbraw/zinc/34/32/96/1079343296.db2.gz VQRDCYHVHVNNRY-CVEARBPZSA-N 2 2 316.449 2.119 20 30 DEEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001566529659 1075271082 /nfs/dbraw/zinc/27/10/82/1075271082.db2.gz WICGKEPMQYLIBC-JKSUJKDBSA-N 2 2 324.428 2.330 20 30 DEEDLP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001566745852 1075332852 /nfs/dbraw/zinc/33/28/52/1075332852.db2.gz VWAVYJPJBCSVPA-HNNXBMFYSA-N 2 2 318.465 2.434 20 30 DEEDLP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001566745852 1075332853 /nfs/dbraw/zinc/33/28/53/1075332853.db2.gz VWAVYJPJBCSVPA-HNNXBMFYSA-N 2 2 318.465 2.434 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001566758582 1075336737 /nfs/dbraw/zinc/33/67/37/1075336737.db2.gz OJZQAJGQDZDPMY-CALCHBBNSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001566758582 1075336739 /nfs/dbraw/zinc/33/67/39/1075336739.db2.gz OJZQAJGQDZDPMY-CALCHBBNSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001566992383 1075410730 /nfs/dbraw/zinc/41/07/30/1075410730.db2.gz URRUPNRQVZBPOW-QQFBHYJXSA-N 2 2 304.438 2.255 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001567132285 1075439490 /nfs/dbraw/zinc/43/94/90/1075439490.db2.gz APCQXMBLNTYVJI-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329473859 1148898656 /nfs/dbraw/zinc/89/86/56/1148898656.db2.gz DHFRHQNHBBUUEN-HNNXBMFYSA-N 2 2 306.454 2.329 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329473859 1148898658 /nfs/dbraw/zinc/89/86/58/1148898658.db2.gz DHFRHQNHBBUUEN-HNNXBMFYSA-N 2 2 306.454 2.329 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001267846589 1079535580 /nfs/dbraw/zinc/53/55/80/1079535580.db2.gz HIDXHEWHSPYPRM-OAHLLOKOSA-N 2 2 304.438 2.256 20 30 DEEDLP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001484343875 1079552475 /nfs/dbraw/zinc/55/24/75/1079552475.db2.gz QXUKIIAVNPLZIP-WBVHZDCISA-N 2 2 324.428 2.499 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001268196670 1080185589 /nfs/dbraw/zinc/18/55/89/1080185589.db2.gz SVZFXRCKJUYTPE-DOTOQJQBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001485523814 1080281717 /nfs/dbraw/zinc/28/17/17/1080281717.db2.gz MXUJPEAMAFAYNM-LSDHHAIUSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481695225 1080314848 /nfs/dbraw/zinc/31/48/48/1080314848.db2.gz INQBFMVNLPKNBK-IRXDYDNUSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481695225 1080314854 /nfs/dbraw/zinc/31/48/54/1080314854.db2.gz INQBFMVNLPKNBK-IRXDYDNUSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481695225 1080314863 /nfs/dbraw/zinc/31/48/63/1080314863.db2.gz INQBFMVNLPKNBK-IRXDYDNUSA-N 2 2 301.434 2.056 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268368642 1080379649 /nfs/dbraw/zinc/37/96/49/1080379649.db2.gz ZTKDVUHUSXBMDO-CYBMUJFWSA-N 2 2 300.406 2.317 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001661925352 1080545739 /nfs/dbraw/zinc/54/57/39/1080545739.db2.gz FUDDIAXBZQWMPC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001661925352 1080545747 /nfs/dbraw/zinc/54/57/47/1080545747.db2.gz FUDDIAXBZQWMPC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001482017688 1080690774 /nfs/dbraw/zinc/69/07/74/1080690774.db2.gz CDFHHUPYSCLATG-BZUAXINKSA-N 2 2 316.449 2.039 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001268766717 1080975730 /nfs/dbraw/zinc/97/57/30/1080975730.db2.gz ZITMJJZYBVKVHB-CVEARBPZSA-N 2 2 324.428 2.236 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268993804 1081079222 /nfs/dbraw/zinc/07/92/22/1081079222.db2.gz YANURPCNQBVIDD-ULQDDVLXSA-N 2 2 316.449 2.303 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268993804 1081079227 /nfs/dbraw/zinc/07/92/27/1081079227.db2.gz YANURPCNQBVIDD-ULQDDVLXSA-N 2 2 316.449 2.303 20 30 DEEDLP C=CCC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001666069315 1081119271 /nfs/dbraw/zinc/11/92/71/1081119271.db2.gz SLZASJBFLQMHJS-KBXCAEBGSA-N 2 2 318.465 2.491 20 30 DEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001666337504 1081145328 /nfs/dbraw/zinc/14/53/28/1081145328.db2.gz HNWCZCJGZZTVKO-QGZVFWFLSA-N 2 2 324.428 2.038 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001269350837 1081224142 /nfs/dbraw/zinc/22/41/42/1081224142.db2.gz KZERDVIPWIPLCV-IRXDYDNUSA-N 2 2 301.434 2.056 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001269350837 1081224146 /nfs/dbraw/zinc/22/41/46/1081224146.db2.gz KZERDVIPWIPLCV-IRXDYDNUSA-N 2 2 301.434 2.056 20 30 DEEDLP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001672215477 1081568263 /nfs/dbraw/zinc/56/82/63/1081568263.db2.gz KIUPTOJAUIYWFB-WBVHZDCISA-N 2 2 313.445 2.470 20 30 DEEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001270717842 1081613122 /nfs/dbraw/zinc/61/31/22/1081613122.db2.gz ILRADQRZVOGEOO-IBGZPJMESA-N 2 2 324.428 2.108 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001482433640 1081822950 /nfs/dbraw/zinc/82/29/50/1081822950.db2.gz LEQVBTXXFVUEBG-RDJZCZTQSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001674498969 1081881877 /nfs/dbraw/zinc/88/18/77/1081881877.db2.gz ANBWAEOCKHAMNZ-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001674498969 1081881881 /nfs/dbraw/zinc/88/18/81/1081881881.db2.gz ANBWAEOCKHAMNZ-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001271645175 1082099385 /nfs/dbraw/zinc/09/93/85/1082099385.db2.gz MIRNJICTKARNRF-LSDHHAIUSA-N 2 2 324.428 2.417 20 30 DEEDLP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001271898383 1082184806 /nfs/dbraw/zinc/18/48/06/1082184806.db2.gz HZDGKNUYCXWEAW-CALCHBBNSA-N 2 2 318.465 2.244 20 30 DEEDLP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001271898383 1082184809 /nfs/dbraw/zinc/18/48/09/1082184809.db2.gz HZDGKNUYCXWEAW-CALCHBBNSA-N 2 2 318.465 2.244 20 30 DEEDLP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001482537929 1082185547 /nfs/dbraw/zinc/18/55/47/1082185547.db2.gz HZFZYARGOBDIMY-WBVHZDCISA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001266884250 1082428994 /nfs/dbraw/zinc/42/89/94/1082428994.db2.gz BBLXICATBOQEHN-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491173001 1084128693 /nfs/dbraw/zinc/12/86/93/1084128693.db2.gz FANMMDPMHRIYGM-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235610326 1084477326 /nfs/dbraw/zinc/47/73/26/1084477326.db2.gz FAURSNDTPHKVNC-KRWDZBQOSA-N 2 2 319.474 2.343 20 30 DEEDLP C=CC[NH2+]CC[N@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235610326 1084477335 /nfs/dbraw/zinc/47/73/35/1084477335.db2.gz FAURSNDTPHKVNC-KRWDZBQOSA-N 2 2 319.474 2.343 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631739 1084482638 /nfs/dbraw/zinc/48/26/38/1084482638.db2.gz BJOFCOPSJDJCKJ-HZPDHXFCSA-N 2 2 304.438 2.189 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631739 1084482643 /nfs/dbraw/zinc/48/26/43/1084482643.db2.gz BJOFCOPSJDJCKJ-HZPDHXFCSA-N 2 2 304.438 2.189 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001486200900 1085126834 /nfs/dbraw/zinc/12/68/34/1085126834.db2.gz AQSWMQNYHRAVNS-CABCVRRESA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001486200900 1085126840 /nfs/dbraw/zinc/12/68/40/1085126840.db2.gz AQSWMQNYHRAVNS-CABCVRRESA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000964186519 1085172508 /nfs/dbraw/zinc/17/25/08/1085172508.db2.gz TYDYWGMKIWZWNW-UHFFFAOYSA-N 2 2 324.856 2.074 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001486414070 1085284459 /nfs/dbraw/zinc/28/44/59/1085284459.db2.gz UZRQNTDAESZWPA-ZFWWWQNUSA-N 2 2 306.454 2.427 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277955 1085669120 /nfs/dbraw/zinc/66/91/20/1085669120.db2.gz ZLKNKGMOOURAFK-JKSUJKDBSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277955 1085669122 /nfs/dbraw/zinc/66/91/22/1085669122.db2.gz ZLKNKGMOOURAFK-JKSUJKDBSA-N 2 2 316.449 2.007 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366079 1086428998 /nfs/dbraw/zinc/42/89/98/1086428998.db2.gz JEEWSJYUBOVHFO-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366079 1086429004 /nfs/dbraw/zinc/42/90/04/1086429004.db2.gz JEEWSJYUBOVHFO-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001082732795 1090064140 /nfs/dbraw/zinc/06/41/40/1090064140.db2.gz WDXBEYVPVIZLLT-SCDSUCTJSA-N 2 2 322.840 2.019 20 30 DEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)nc1 ZINC001318542860 1140362765 /nfs/dbraw/zinc/36/27/65/1140362765.db2.gz YEUIIDFDRMAKDH-UHFFFAOYSA-N 2 2 304.313 2.095 20 30 DEEDLP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001319493706 1140599262 /nfs/dbraw/zinc/59/92/62/1140599262.db2.gz ZPDNEQKSEAECRA-CQSZACIVSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001319708582 1140677279 /nfs/dbraw/zinc/67/72/79/1140677279.db2.gz DOXZNNJPKOMQQM-IRXDYDNUSA-N 2 2 318.465 2.456 20 30 DEEDLP C#CC[C@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247609077 1141387424 /nfs/dbraw/zinc/38/74/24/1141387424.db2.gz DONRPKLTJWJILO-BCNIOPEESA-N 2 2 309.373 2.221 20 30 DEEDLP N#Cc1cc(F)cc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)c1 ZINC001247697862 1141428254 /nfs/dbraw/zinc/42/82/54/1141428254.db2.gz DDOOALCHMUWTFM-OAHLLOKOSA-N 2 2 323.331 2.373 20 30 DEEDLP N#Cc1cccc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)c1 ZINC001247702476 1141435179 /nfs/dbraw/zinc/43/51/79/1141435179.db2.gz YNXVKDXJQIXFSU-HNNXBMFYSA-N 2 2 305.341 2.234 20 30 DEEDLP N#Cc1cccc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)c1 ZINC001247702480 1141436896 /nfs/dbraw/zinc/43/68/96/1141436896.db2.gz YNXVKDXJQIXFSU-OAHLLOKOSA-N 2 2 305.341 2.234 20 30 DEEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001252625661 1142797443 /nfs/dbraw/zinc/79/74/43/1142797443.db2.gz XSKVYHLDKYJUCA-GBESFXJTSA-N 2 2 318.461 2.193 20 30 DEEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001252625661 1142797450 /nfs/dbraw/zinc/79/74/50/1142797450.db2.gz XSKVYHLDKYJUCA-GBESFXJTSA-N 2 2 318.461 2.193 20 30 DEEDLP CC[C@H](CC#N)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001255149026 1143447202 /nfs/dbraw/zinc/44/72/02/1143447202.db2.gz FDRWPXCTYPTCAQ-QGZVFWFLSA-N 2 2 317.433 2.179 20 30 DEEDLP C=CCN1CC[C@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001256624326 1143858166 /nfs/dbraw/zinc/85/81/66/1143858166.db2.gz TWDZDLYODIOFHQ-RZRMAFQFSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001256624326 1143858167 /nfs/dbraw/zinc/85/81/67/1143858167.db2.gz TWDZDLYODIOFHQ-RZRMAFQFSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001256624326 1143858168 /nfs/dbraw/zinc/85/81/68/1143858168.db2.gz TWDZDLYODIOFHQ-RZRMAFQFSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001256624326 1143858170 /nfs/dbraw/zinc/85/81/70/1143858170.db2.gz TWDZDLYODIOFHQ-RZRMAFQFSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001279089469 1143991049 /nfs/dbraw/zinc/99/10/49/1143991049.db2.gz CZCLHSPHBXWCHK-OAHLLOKOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708776 1144732797 /nfs/dbraw/zinc/73/27/97/1144732797.db2.gz SZUPJCJMLUANIR-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708776 1144732801 /nfs/dbraw/zinc/73/28/01/1144732801.db2.gz SZUPJCJMLUANIR-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH2+]C1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001265743583 1144736975 /nfs/dbraw/zinc/73/69/75/1144736975.db2.gz VHBHNZGURRFLRJ-UHFFFAOYSA-N 2 2 318.465 2.336 20 30 DEEDLP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001279716164 1144827593 /nfs/dbraw/zinc/82/75/93/1144827593.db2.gz PHSNRQMFHILDKQ-UHFFFAOYSA-N 2 2 316.380 2.073 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001284056460 1145777728 /nfs/dbraw/zinc/77/77/28/1145777728.db2.gz GZRDFDARYCJTAU-NVXWUHKLSA-N 2 2 302.422 2.032 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001284056460 1145777735 /nfs/dbraw/zinc/77/77/35/1145777735.db2.gz GZRDFDARYCJTAU-NVXWUHKLSA-N 2 2 302.422 2.032 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001284056460 1145777745 /nfs/dbraw/zinc/77/77/45/1145777745.db2.gz GZRDFDARYCJTAU-NVXWUHKLSA-N 2 2 302.422 2.032 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001284056460 1145777756 /nfs/dbraw/zinc/77/77/56/1145777756.db2.gz GZRDFDARYCJTAU-NVXWUHKLSA-N 2 2 302.422 2.032 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001284156900 1145807869 /nfs/dbraw/zinc/80/78/69/1145807869.db2.gz ZOCCMQPEJKFQEO-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001284156900 1145807872 /nfs/dbraw/zinc/80/78/72/1145807872.db2.gz ZOCCMQPEJKFQEO-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC001284348778 1145840686 /nfs/dbraw/zinc/84/06/86/1145840686.db2.gz UQKNJJYPUZOUNT-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001316702237 1147353005 /nfs/dbraw/zinc/35/30/05/1147353005.db2.gz VZQXBWFINHXDJE-HIFRSBDPSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316952590 1147638616 /nfs/dbraw/zinc/63/86/16/1147638616.db2.gz HPDILLZBVSGDKS-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316952590 1147638618 /nfs/dbraw/zinc/63/86/18/1147638618.db2.gz HPDILLZBVSGDKS-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317308792 1147688874 /nfs/dbraw/zinc/68/88/74/1147688874.db2.gz RZTCCVHYTCRMKB-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001367481867 1147700694 /nfs/dbraw/zinc/70/06/94/1147700694.db2.gz LEBDWPGKFHMNSF-KGLIPLIRSA-N 2 2 312.845 2.317 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325466009 1147918830 /nfs/dbraw/zinc/91/88/30/1147918830.db2.gz JXRHQEBHYLHVBO-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001325531607 1147936608 /nfs/dbraw/zinc/93/66/08/1147936608.db2.gz NUKZFYJIVOAGAS-HOCLYGCPSA-N 2 2 318.465 2.187 20 30 DEEDLP COC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181583677 199322496 /nfs/dbraw/zinc/32/24/96/199322496.db2.gz LPBDQMCXBYNUSO-HNNXBMFYSA-N 2 2 301.434 2.395 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000180780760 356059699 /nfs/dbraw/zinc/05/96/99/356059699.db2.gz OFQJUQALYPHGIO-OAHLLOKOSA-N 2 2 310.486 2.056 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCCC#N)c2cc1C ZINC000579103812 356921188 /nfs/dbraw/zinc/92/11/88/356921188.db2.gz UQGQCECZLWBXRF-OAHLLOKOSA-N 2 2 300.406 2.298 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1 ZINC000591576894 357738170 /nfs/dbraw/zinc/73/81/70/357738170.db2.gz LVEZWZJRBHWTLN-UHFFFAOYSA-N 3 2 312.461 2.112 20 30 DEEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000591724810 357754351 /nfs/dbraw/zinc/75/43/51/357754351.db2.gz FFDSZAPCJMEHKV-LJQANCHMSA-N 2 2 309.413 2.141 20 30 DEEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000591724810 357754356 /nfs/dbraw/zinc/75/43/56/357754356.db2.gz FFDSZAPCJMEHKV-LJQANCHMSA-N 2 2 309.413 2.141 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866527 357771714 /nfs/dbraw/zinc/77/17/14/357771714.db2.gz BMNGDPSLBPIFBC-CVEARBPZSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866527 357771715 /nfs/dbraw/zinc/77/17/15/357771715.db2.gz BMNGDPSLBPIFBC-CVEARBPZSA-N 2 2 304.438 2.333 20 30 DEEDLP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000180027576 199108418 /nfs/dbraw/zinc/10/84/18/199108418.db2.gz NTKAJWYABURROY-UHFFFAOYSA-N 2 2 320.400 2.335 20 30 DEEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000594498585 358284224 /nfs/dbraw/zinc/28/42/24/358284224.db2.gz SIIXMHHXNIYMAB-SFHVURJKSA-N 2 2 311.429 2.390 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)c(C#N)c1 ZINC000180931692 199229639 /nfs/dbraw/zinc/22/96/39/199229639.db2.gz HDXXCXNVXXWVKG-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)c(C#N)c1 ZINC000180931692 199229640 /nfs/dbraw/zinc/22/96/40/199229640.db2.gz HDXXCXNVXXWVKG-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP Cc1cccn2cc(CC[NH2+]C[C@H](O)CC(C)(C)C#N)[nH+]c12 ZINC000598718705 359304324 /nfs/dbraw/zinc/30/43/24/359304324.db2.gz GLHYLSWVJMUUGD-OAHLLOKOSA-N 2 2 300.406 2.076 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc[nH]c3=O)CC2)cc1 ZINC000599005116 359381238 /nfs/dbraw/zinc/38/12/38/359381238.db2.gz BPIPEHFUTTZCIY-UHFFFAOYSA-N 2 2 322.412 2.413 20 30 DEEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442719955 238066965 /nfs/dbraw/zinc/06/69/65/238066965.db2.gz QQGMMNSPYUWSBA-QZTJIDSGSA-N 2 2 312.461 2.481 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157693 361285712 /nfs/dbraw/zinc/28/57/12/361285712.db2.gz PFJQIIPTFPWVAN-CYBMUJFWSA-N 2 2 315.402 2.092 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157693 361285717 /nfs/dbraw/zinc/28/57/17/361285717.db2.gz PFJQIIPTFPWVAN-CYBMUJFWSA-N 2 2 315.402 2.092 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000492812420 249145718 /nfs/dbraw/zinc/14/57/18/249145718.db2.gz MMDXRIRARMMYAI-XITLMJRVSA-N 2 2 302.422 2.238 20 30 DEEDLP CSc1ccc([C@@H](CNC2=[NH+]CCCN2C)[NH+](C)C)cc1 ZINC000263169434 533002186 /nfs/dbraw/zinc/00/21/86/533002186.db2.gz RTLISRZTUYYTDT-OAHLLOKOSA-N 2 2 306.479 2.292 20 30 DEEDLP COc1cc(C#N)ccc1OCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565400508 292158821 /nfs/dbraw/zinc/15/88/21/292158821.db2.gz INWLRYYAGADGAC-JKSUJKDBSA-N 2 2 315.417 2.114 20 30 DEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565400508 292158823 /nfs/dbraw/zinc/15/88/23/292158823.db2.gz INWLRYYAGADGAC-JKSUJKDBSA-N 2 2 315.417 2.114 20 30 DEEDLP COc1cc(C#N)ccc1OCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565400508 292158824 /nfs/dbraw/zinc/15/88/24/292158824.db2.gz INWLRYYAGADGAC-JKSUJKDBSA-N 2 2 315.417 2.114 20 30 DEEDLP COc1cc(C#N)ccc1OCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565400508 292158826 /nfs/dbraw/zinc/15/88/26/292158826.db2.gz INWLRYYAGADGAC-JKSUJKDBSA-N 2 2 315.417 2.114 20 30 DEEDLP C=CCOc1cccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000124294244 402173265 /nfs/dbraw/zinc/17/32/65/402173265.db2.gz RFDFUSBTDACCGU-INIZCTEOSA-N 2 2 304.434 2.452 20 30 DEEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000185775097 402375617 /nfs/dbraw/zinc/37/56/17/402375617.db2.gz DUTFCZNDIJHUSI-KFKAGJAMSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000185775097 402375619 /nfs/dbraw/zinc/37/56/19/402375619.db2.gz DUTFCZNDIJHUSI-KFKAGJAMSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000185874044 402384424 /nfs/dbraw/zinc/38/44/24/402384424.db2.gz DEICBOMFVQUDSO-MANSERQUSA-N 2 2 313.445 2.294 20 30 DEEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000185874044 402384427 /nfs/dbraw/zinc/38/44/27/402384427.db2.gz DEICBOMFVQUDSO-MANSERQUSA-N 2 2 313.445 2.294 20 30 DEEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186229092 402413058 /nfs/dbraw/zinc/41/30/58/402413058.db2.gz DLBCCOHFSHTPPL-SFHVURJKSA-N 2 2 313.445 2.411 20 30 DEEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186229092 402413060 /nfs/dbraw/zinc/41/30/60/402413060.db2.gz DLBCCOHFSHTPPL-SFHVURJKSA-N 2 2 313.445 2.411 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000170914920 402541126 /nfs/dbraw/zinc/54/11/26/402541126.db2.gz CFRHZBXFZKTQGA-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCOCC2(C)C)c1 ZINC000170914920 402541128 /nfs/dbraw/zinc/54/11/28/402541128.db2.gz CFRHZBXFZKTQGA-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000266617901 402979475 /nfs/dbraw/zinc/97/94/75/402979475.db2.gz YXLYKVAHFYVKOW-SJORKVTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000266617901 402979476 /nfs/dbraw/zinc/97/94/76/402979476.db2.gz YXLYKVAHFYVKOW-SJORKVTESA-N 2 2 307.482 2.239 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000332040142 403467650 /nfs/dbraw/zinc/46/76/50/403467650.db2.gz KMPPXTVOGGUWSK-KYHPRHEASA-N 2 2 315.465 2.475 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000332040142 403467654 /nfs/dbraw/zinc/46/76/54/403467654.db2.gz KMPPXTVOGGUWSK-KYHPRHEASA-N 2 2 315.465 2.475 20 30 DEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000434581449 404913853 /nfs/dbraw/zinc/91/38/53/404913853.db2.gz RKEPOHXMVDPHTE-QGZVFWFLSA-N 2 2 315.417 2.046 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2[nH+]ccn2CC)CC1 ZINC000454458958 405348473 /nfs/dbraw/zinc/34/84/73/405348473.db2.gz GJJVLHYFNVSYGR-AWEZNQCLSA-N 2 2 319.453 2.304 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430605308 405465086 /nfs/dbraw/zinc/46/50/86/405465086.db2.gz QNOAUVNBLLSBIP-CYBMUJFWSA-N 2 2 307.463 2.074 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611746 405466410 /nfs/dbraw/zinc/46/64/10/405466410.db2.gz PEVVPKBUCCFVJJ-GJZGRUSLSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611746 405466412 /nfs/dbraw/zinc/46/64/12/405466412.db2.gz PEVVPKBUCCFVJJ-GJZGRUSLSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639090517 405876568 /nfs/dbraw/zinc/87/65/68/405876568.db2.gz IBBGWJRQQKLOSS-UHFFFAOYSA-N 2 2 304.434 2.406 20 30 DEEDLP C=CCC[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639090517 405876572 /nfs/dbraw/zinc/87/65/72/405876572.db2.gz IBBGWJRQQKLOSS-UHFFFAOYSA-N 2 2 304.434 2.406 20 30 DEEDLP Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000574151783 406780175 /nfs/dbraw/zinc/78/01/75/406780175.db2.gz RRDGVGBXLRLPAR-QGZVFWFLSA-N 2 2 316.449 2.214 20 30 DEEDLP Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000574151783 406780182 /nfs/dbraw/zinc/78/01/82/406780182.db2.gz RRDGVGBXLRLPAR-QGZVFWFLSA-N 2 2 316.449 2.214 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786033 406891842 /nfs/dbraw/zinc/89/18/42/406891842.db2.gz NEBCZVISOSCGSS-GUDVDZBRSA-N 2 2 321.509 2.117 20 30 DEEDLP C=CCC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000641786736 406891924 /nfs/dbraw/zinc/89/19/24/406891924.db2.gz RVBROOPBOUXBMQ-OALUTQOASA-N 2 2 321.509 2.117 20 30 DEEDLP COCC[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331228522 226071112 /nfs/dbraw/zinc/07/11/12/226071112.db2.gz FPVPTVUGEHRHIF-UHFFFAOYSA-N 2 2 320.437 2.444 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(N)nc3)CC2)c1 ZINC000593316347 425007321 /nfs/dbraw/zinc/00/73/21/425007321.db2.gz CDIPUXPBKIDEAC-UHFFFAOYSA-N 2 2 321.428 2.290 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655426 425195873 /nfs/dbraw/zinc/19/58/73/425195873.db2.gz MIQMHQHJTCYEHZ-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655426 425195876 /nfs/dbraw/zinc/19/58/76/425195876.db2.gz MIQMHQHJTCYEHZ-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655426 425195881 /nfs/dbraw/zinc/19/58/81/425195881.db2.gz MIQMHQHJTCYEHZ-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655426 425195885 /nfs/dbraw/zinc/19/58/85/425195885.db2.gz MIQMHQHJTCYEHZ-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C[NH+](C)CCC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000662325841 425625186 /nfs/dbraw/zinc/62/51/86/425625186.db2.gz QSIOBTGTBXIKSC-GOSISDBHSA-N 2 2 304.409 2.220 20 30 DEEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000662325841 425625188 /nfs/dbraw/zinc/62/51/88/425625188.db2.gz QSIOBTGTBXIKSC-GOSISDBHSA-N 2 2 304.409 2.220 20 30 DEEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000261993846 274288029 /nfs/dbraw/zinc/28/80/29/274288029.db2.gz NCLVHUXHKKAMEO-CYBMUJFWSA-N 2 2 306.479 2.153 20 30 DEEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCc3sccc3C2)C1 ZINC000261993846 274288031 /nfs/dbraw/zinc/28/80/31/274288031.db2.gz NCLVHUXHKKAMEO-CYBMUJFWSA-N 2 2 306.479 2.153 20 30 DEEDLP CC1(C)CC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC(C)(C)[NH2+]1 ZINC000330172209 278189292 /nfs/dbraw/zinc/18/92/92/278189292.db2.gz GFDZDHXJCIZEIG-LBPRGKRZSA-N 2 2 319.453 2.011 20 30 DEEDLP CC1(C)CC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)[NH2+]1 ZINC000330172209 278189295 /nfs/dbraw/zinc/18/92/95/278189295.db2.gz GFDZDHXJCIZEIG-LBPRGKRZSA-N 2 2 319.453 2.011 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939354 782062487 /nfs/dbraw/zinc/06/24/87/782062487.db2.gz LLUFTHZRVWNHAT-CABCVRRESA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939354 782062497 /nfs/dbraw/zinc/06/24/97/782062497.db2.gz LLUFTHZRVWNHAT-CABCVRRESA-N 2 2 313.873 2.050 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000575769167 326244930 /nfs/dbraw/zinc/24/49/30/326244930.db2.gz KLLZYUFASYUZLI-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000575769167 326244932 /nfs/dbraw/zinc/24/49/32/326244932.db2.gz KLLZYUFASYUZLI-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP COC1CC[NH+](C2(C[NH2+]C[C@H](C#N)CCC#N)CCCC2)CC1 ZINC000548786990 341275620 /nfs/dbraw/zinc/27/56/20/341275620.db2.gz QLWFHAJGIHKXCU-INIZCTEOSA-N 2 2 318.465 2.443 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247214863 526538108 /nfs/dbraw/zinc/53/81/08/526538108.db2.gz CNVOSOQSMDHAPL-SJORKVTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247214863 526538112 /nfs/dbraw/zinc/53/81/12/526538112.db2.gz CNVOSOQSMDHAPL-SJORKVTESA-N 2 2 309.498 2.463 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000294994751 526827106 /nfs/dbraw/zinc/82/71/06/526827106.db2.gz LQGLDECUYNBPMT-CQSZACIVSA-N 2 2 317.433 2.259 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000294994751 526827112 /nfs/dbraw/zinc/82/71/12/526827112.db2.gz LQGLDECUYNBPMT-CQSZACIVSA-N 2 2 317.433 2.259 20 30 DEEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[C@@H]1C ZINC000262858702 528818628 /nfs/dbraw/zinc/81/86/28/528818628.db2.gz YSQRFWIIGPACRH-WFASDCNBSA-N 2 2 312.421 2.039 20 30 DEEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC(C)(C)C ZINC000263117781 528819053 /nfs/dbraw/zinc/81/90/53/528819053.db2.gz GCNMQIPFDKRMAF-UHFFFAOYSA-N 2 2 314.437 2.429 20 30 DEEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)N1 ZINC000262629320 625422053 /nfs/dbraw/zinc/42/20/53/625422053.db2.gz FHXWWIXWSBRQKK-WFASDCNBSA-N 2 2 306.841 2.414 20 30 DEEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969675363 622879737 /nfs/dbraw/zinc/87/97/37/622879737.db2.gz TTXBIRDBBXOYOZ-CQSZACIVSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575934 623780108 /nfs/dbraw/zinc/78/01/08/623780108.db2.gz PFRCHBKHHFQJIA-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575934 623780110 /nfs/dbraw/zinc/78/01/10/623780110.db2.gz PFRCHBKHHFQJIA-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000971536283 624182046 /nfs/dbraw/zinc/18/20/46/624182046.db2.gz AUMAOFCNAXUWBZ-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000971536283 624182048 /nfs/dbraw/zinc/18/20/48/624182048.db2.gz AUMAOFCNAXUWBZ-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333900 624932673 /nfs/dbraw/zinc/93/26/73/624932673.db2.gz ZDEZTTGGXBOGEL-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333900 624932675 /nfs/dbraw/zinc/93/26/75/624932675.db2.gz ZDEZTTGGXBOGEL-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972333900 624932677 /nfs/dbraw/zinc/93/26/77/624932677.db2.gz ZDEZTTGGXBOGEL-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979993681 634817298 /nfs/dbraw/zinc/81/72/98/634817298.db2.gz WFLMCDBKTABNPO-CWRNSKLLSA-N 2 2 322.412 2.026 20 30 DEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979993681 634817301 /nfs/dbraw/zinc/81/73/01/634817301.db2.gz WFLMCDBKTABNPO-CWRNSKLLSA-N 2 2 322.412 2.026 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974746279 633279474 /nfs/dbraw/zinc/27/94/74/633279474.db2.gz WYBUSLYFVQZSDP-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974746279 633279478 /nfs/dbraw/zinc/27/94/78/633279478.db2.gz WYBUSLYFVQZSDP-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027489932 633879650 /nfs/dbraw/zinc/87/96/50/633879650.db2.gz GWEDGVWXZSCLKN-OAHLLOKOSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027489932 633879651 /nfs/dbraw/zinc/87/96/51/633879651.db2.gz GWEDGVWXZSCLKN-OAHLLOKOSA-N 2 2 312.417 2.447 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054262 635384664 /nfs/dbraw/zinc/38/46/64/635384664.db2.gz VBHIDDCQGPNVSE-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054262 635384676 /nfs/dbraw/zinc/38/46/76/635384676.db2.gz VBHIDDCQGPNVSE-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130825 635677168 /nfs/dbraw/zinc/67/71/68/635677168.db2.gz WOWYTJCTRYKTCZ-CABCVRRESA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130825 635677173 /nfs/dbraw/zinc/67/71/73/635677173.db2.gz WOWYTJCTRYKTCZ-CABCVRRESA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000987300430 640160246 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/nfs/dbraw/zinc/77/28/76/644772876.db2.gz QMJFCPMZSLOCAF-DEICHXMPSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991119836 644772879 /nfs/dbraw/zinc/77/28/79/644772879.db2.gz QMJFCPMZSLOCAF-DEICHXMPSA-N 2 2 314.433 2.203 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991380898 646040693 /nfs/dbraw/zinc/04/06/93/646040693.db2.gz AOICXLKDKUAWSZ-HKUYNNGSSA-N 2 2 322.412 2.313 20 30 DEEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991380898 646040697 /nfs/dbraw/zinc/04/06/97/646040697.db2.gz AOICXLKDKUAWSZ-HKUYNNGSSA-N 2 2 322.412 2.313 20 30 DEEDLP C=CC(C)(C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913665713 646995231 /nfs/dbraw/zinc/99/52/31/646995231.db2.gz LZSJKEBHAPVHPO-UHFFFAOYSA-N 2 2 302.422 2.374 20 30 DEEDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CCC[NH2+]1 ZINC000817973006 647397556 /nfs/dbraw/zinc/39/75/56/647397556.db2.gz BALOJDMAAZAOJJ-YOEHRIQHSA-N 2 2 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C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008341204 785178093 /nfs/dbraw/zinc/17/80/93/785178093.db2.gz IJGHCAWGYUWTAW-OAHLLOKOSA-N 2 2 305.422 2.112 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488026 787405784 /nfs/dbraw/zinc/40/57/84/787405784.db2.gz MKQVEHDQLCVVLR-OAHLLOKOSA-N 2 2 306.454 2.122 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874566 788215475 /nfs/dbraw/zinc/21/54/75/788215475.db2.gz JQRSLNTVFOKQCS-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874566 788215478 /nfs/dbraw/zinc/21/54/78/788215478.db2.gz JQRSLNTVFOKQCS-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919685 788227615 /nfs/dbraw/zinc/22/76/15/788227615.db2.gz MQCJIQHZIBJBAL-GOEBONIOSA-N 2 2 324.428 2.274 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132983103 788248169 /nfs/dbraw/zinc/24/81/69/788248169.db2.gz WYBKVKMHYASVCM-CVEARBPZSA-N 2 2 324.428 2.045 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133271045 788344931 /nfs/dbraw/zinc/34/49/31/788344931.db2.gz NCYZQLYIQVLHQB-GOEBONIOSA-N 2 2 318.465 2.301 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133282732 788351405 /nfs/dbraw/zinc/35/14/05/788351405.db2.gz KFGVNAPPKYAPDL-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730008 789053033 /nfs/dbraw/zinc/05/30/33/789053033.db2.gz RQJZBROMTZUTJV-UONOGXRCSA-N 2 2 306.454 2.376 20 30 DEEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732379 789065063 /nfs/dbraw/zinc/06/50/63/789065063.db2.gz IKWUPMSRJBWOTM-ZIAGYGMSSA-N 2 2 305.422 2.082 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071776543 789914496 /nfs/dbraw/zinc/91/44/96/789914496.db2.gz VEUKKCVAGAPJJP-DZGCQCFKSA-N 2 2 305.422 2.110 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071776543 789914498 /nfs/dbraw/zinc/91/44/98/789914498.db2.gz VEUKKCVAGAPJJP-DZGCQCFKSA-N 2 2 305.422 2.110 20 30 DEEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148906069 791815688 /nfs/dbraw/zinc/81/56/88/791815688.db2.gz XVKNEDDGJBLWRX-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148906069 791815692 /nfs/dbraw/zinc/81/56/92/791815692.db2.gz XVKNEDDGJBLWRX-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950678 791862658 /nfs/dbraw/zinc/86/26/58/791862658.db2.gz HIPSCGJBQZAYRW-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903556 791979159 /nfs/dbraw/zinc/97/91/59/791979159.db2.gz UHIHKZNDWHQHCJ-KXBFYZLASA-N 2 2 322.412 2.171 20 30 DEEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903556 791979164 /nfs/dbraw/zinc/97/91/64/791979164.db2.gz UHIHKZNDWHQHCJ-KXBFYZLASA-N 2 2 322.412 2.171 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171605060 793147906 /nfs/dbraw/zinc/14/79/06/793147906.db2.gz MIUUXRIVFZLTSJ-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001101560027 793231596 /nfs/dbraw/zinc/23/15/96/793231596.db2.gz GVSUWPCOOUHCRT-UHFFFAOYSA-N 2 2 318.465 2.314 20 30 DEEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@H](C)CCCC#N)C2 ZINC001172497315 793437674 /nfs/dbraw/zinc/43/76/74/793437674.db2.gz AXPRUUKVIULDLV-OAHLLOKOSA-N 2 2 318.469 2.406 20 30 DEEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@H](C)CCCC#N)C2 ZINC001172497315 793437676 /nfs/dbraw/zinc/43/76/76/793437676.db2.gz AXPRUUKVIULDLV-OAHLLOKOSA-N 2 2 318.469 2.406 20 30 DEEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172497315 793437679 /nfs/dbraw/zinc/43/76/79/793437679.db2.gz AXPRUUKVIULDLV-OAHLLOKOSA-N 2 2 318.469 2.406 20 30 DEEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@H](C)CCCC#N)C2 ZINC001172497315 793437681 /nfs/dbraw/zinc/43/76/81/793437681.db2.gz AXPRUUKVIULDLV-OAHLLOKOSA-N 2 2 318.469 2.406 20 30 DEEDLP C[C@H](CCCC#N)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498547 793438943 /nfs/dbraw/zinc/43/89/43/793438943.db2.gz MGRRYMJXXLTZEF-KBAYOESNSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@H](CCCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498547 793438949 /nfs/dbraw/zinc/43/89/49/793438949.db2.gz MGRRYMJXXLTZEF-KBAYOESNSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498547 793438953 /nfs/dbraw/zinc/43/89/53/793438953.db2.gz MGRRYMJXXLTZEF-KBAYOESNSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172498547 793438957 /nfs/dbraw/zinc/43/89/57/793438957.db2.gz MGRRYMJXXLTZEF-KBAYOESNSA-N 2 2 315.465 2.256 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927112 793444232 /nfs/dbraw/zinc/44/42/32/793444232.db2.gz ZGQGGAZWDNAPQJ-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927112 793444235 /nfs/dbraw/zinc/44/42/35/793444235.db2.gz ZGQGGAZWDNAPQJ-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP CC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001173352091 793685396 /nfs/dbraw/zinc/68/53/96/793685396.db2.gz FSVPTNGMXSNLEX-IBGZPJMESA-N 2 2 312.461 2.206 20 30 DEEDLP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001173352091 793685401 /nfs/dbraw/zinc/68/54/01/793685401.db2.gz FSVPTNGMXSNLEX-IBGZPJMESA-N 2 2 312.461 2.206 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926839 793824262 /nfs/dbraw/zinc/82/42/62/793824262.db2.gz XDJNLBGZZNYCTF-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926839 793824275 /nfs/dbraw/zinc/82/42/75/793824275.db2.gz XDJNLBGZZNYCTF-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479427 794110202 /nfs/dbraw/zinc/11/02/02/794110202.db2.gz NCMOPVPATVROKA-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479427 794110206 /nfs/dbraw/zinc/11/02/06/794110206.db2.gz NCMOPVPATVROKA-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351443 794411348 /nfs/dbraw/zinc/41/13/48/794411348.db2.gz UFMXDHZVOVHNNR-CQSZACIVSA-N 2 2 306.454 2.491 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826743 794491679 /nfs/dbraw/zinc/49/16/79/794491679.db2.gz XWKPGYGLIQVLNO-WMZOPIPTSA-N 2 2 316.449 2.210 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826743 794491683 /nfs/dbraw/zinc/49/16/83/794491683.db2.gz XWKPGYGLIQVLNO-WMZOPIPTSA-N 2 2 316.449 2.210 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178880975 795018690 /nfs/dbraw/zinc/01/86/90/795018690.db2.gz RKUWPFUYDQCGPH-INIZCTEOSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180279884 795272571 /nfs/dbraw/zinc/27/25/71/795272571.db2.gz OBOCCHMIPLIASX-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001120239795 795426680 /nfs/dbraw/zinc/42/66/80/795426680.db2.gz GEOYTEQVTXUPGQ-UHFFFAOYSA-N 2 2 316.449 2.095 20 30 DEEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181903316 795559100 /nfs/dbraw/zinc/55/91/00/795559100.db2.gz HAUQRRQHNRTVQZ-AUUYWEPGSA-N 2 2 324.428 2.274 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001124014752 796023111 /nfs/dbraw/zinc/02/31/11/796023111.db2.gz CUZONFWUMLYTAF-OAHLLOKOSA-N 2 2 318.465 2.462 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184799772 796128062 /nfs/dbraw/zinc/12/80/62/796128062.db2.gz QHLSDPCIIYGSHI-LSDHHAIUSA-N 2 2 312.417 2.208 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202855041 796256138 /nfs/dbraw/zinc/25/61/38/796256138.db2.gz CFSFDOOAEZEJDS-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202855041 796256141 /nfs/dbraw/zinc/25/61/41/796256141.db2.gz CFSFDOOAEZEJDS-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC001139527879 796390246 /nfs/dbraw/zinc/39/02/46/796390246.db2.gz SDAXOTSZIDIMJD-UHFFFAOYSA-N 2 2 321.396 2.014 20 30 DEEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC001139527879 796390252 /nfs/dbraw/zinc/39/02/52/796390252.db2.gz SDAXOTSZIDIMJD-UHFFFAOYSA-N 2 2 321.396 2.014 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479917 797203511 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C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317423677 1147705054 /nfs/dbraw/zinc/70/50/54/1147705054.db2.gz OOAKJFAAPCDNRR-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317423677 1147705056 /nfs/dbraw/zinc/70/50/56/1147705056.db2.gz OOAKJFAAPCDNRR-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317447583 1147710103 /nfs/dbraw/zinc/71/01/03/1147710103.db2.gz ZILBPRKPDKXZHH-HNNXBMFYSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317447583 1147710106 /nfs/dbraw/zinc/71/01/06/1147710106.db2.gz ZILBPRKPDKXZHH-HNNXBMFYSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317482157 1147713862 /nfs/dbraw/zinc/71/38/62/1147713862.db2.gz QCIUKJNICHYFRV-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317482157 1147713864 /nfs/dbraw/zinc/71/38/64/1147713864.db2.gz QCIUKJNICHYFRV-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001324753265 1147839825 /nfs/dbraw/zinc/83/98/25/1147839825.db2.gz VJRXEDULEJLYDF-SFHVURJKSA-N 2 2 310.401 2.028 20 30 DEEDLP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324935396 1147859988 /nfs/dbraw/zinc/85/99/88/1147859988.db2.gz DLDYIYWKNYCEAP-LJQANCHMSA-N 2 2 324.428 2.108 20 30 DEEDLP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324935396 1147859990 /nfs/dbraw/zinc/85/99/90/1147859990.db2.gz DLDYIYWKNYCEAP-LJQANCHMSA-N 2 2 324.428 2.108 20 30 DEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC34CC(C3)C4)cc2F)CC1 ZINC001326486586 1148112324 /nfs/dbraw/zinc/11/23/24/1148112324.db2.gz PIQAZSBOCWDYJH-UHFFFAOYSA-N 2 2 302.397 2.054 20 30 DEEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595475818 358459245 /nfs/dbraw/zinc/45/92/45/358459245.db2.gz LJOLWNJYNTXYDV-LJQANCHMSA-N 2 2 313.445 2.145 20 30 DEEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595475818 358459249 /nfs/dbraw/zinc/45/92/49/358459249.db2.gz LJOLWNJYNTXYDV-LJQANCHMSA-N 2 2 313.445 2.145 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835678 355108195 /nfs/dbraw/zinc/10/81/95/355108195.db2.gz GJFIZXWPVVKUQO-KRWDZBQOSA-N 2 2 307.482 2.219 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835678 355108199 /nfs/dbraw/zinc/10/81/99/355108199.db2.gz GJFIZXWPVVKUQO-KRWDZBQOSA-N 2 2 307.482 2.219 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423386634 283139700 /nfs/dbraw/zinc/13/97/00/283139700.db2.gz MDEHFBHGJKIMBS-IEBWSBKVSA-N 3 2 312.461 2.382 20 30 DEEDLP N#Cc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000182744842 356143600 /nfs/dbraw/zinc/14/36/00/356143600.db2.gz HSVWWMTVCUKIRX-UHFFFAOYSA-N 2 2 313.380 2.106 20 30 DEEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1F ZINC000585716952 357348475 /nfs/dbraw/zinc/34/84/75/357348475.db2.gz LEPQFAYYCASSJF-QGZVFWFLSA-N 2 2 317.408 2.384 20 30 DEEDLP N#Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1F ZINC000585716952 357348479 /nfs/dbraw/zinc/34/84/79/357348479.db2.gz LEPQFAYYCASSJF-QGZVFWFLSA-N 2 2 317.408 2.384 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591578407 357738057 /nfs/dbraw/zinc/73/80/57/357738057.db2.gz ZTMMXFNFCFQHGK-GOSISDBHSA-N 3 2 312.461 2.254 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866528 357771744 /nfs/dbraw/zinc/77/17/44/357771744.db2.gz BMNGDPSLBPIFBC-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866528 357771746 /nfs/dbraw/zinc/77/17/46/357771746.db2.gz BMNGDPSLBPIFBC-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP Cn1cncc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692332 358124194 /nfs/dbraw/zinc/12/41/94/358124194.db2.gz BNVZHYUHIGQRCD-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP Cc1nn(C)cc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693383 358124747 /nfs/dbraw/zinc/12/47/47/358124747.db2.gz WZLCYRYYZKCGMX-UHFFFAOYSA-N 2 2 323.444 2.354 20 30 DEEDLP N#CC1(c2ccccc2)CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000599085660 359398732 /nfs/dbraw/zinc/39/87/32/359398732.db2.gz UWEKQKILBQEXTB-JLAWEPINSA-N 2 2 313.445 2.047 20 30 DEEDLP N#CC1(c2ccccc2)CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599085660 359398737 /nfs/dbraw/zinc/39/87/37/359398737.db2.gz UWEKQKILBQEXTB-JLAWEPINSA-N 2 2 313.445 2.047 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512230 360410975 /nfs/dbraw/zinc/41/09/75/360410975.db2.gz YAQNHAMWRFGJCC-IRXDYDNUSA-N 2 2 323.481 2.032 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512230 360410980 /nfs/dbraw/zinc/41/09/80/360410980.db2.gz YAQNHAMWRFGJCC-IRXDYDNUSA-N 2 2 323.481 2.032 20 30 DEEDLP N#Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000602519021 360414448 /nfs/dbraw/zinc/41/44/48/360414448.db2.gz DGRUVYKAHNPZOL-UHFFFAOYSA-N 2 2 322.412 2.075 20 30 DEEDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)c(F)c1 ZINC000271967823 209347972 /nfs/dbraw/zinc/34/79/72/209347972.db2.gz VXCUAFMPYSGGCV-ZDUSSCGKSA-N 2 2 305.397 2.195 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157421 361285527 /nfs/dbraw/zinc/28/55/27/361285527.db2.gz LJNYYGNRTGHWSN-YOEHRIQHSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157421 361285529 /nfs/dbraw/zinc/28/55/29/361285529.db2.gz LJNYYGNRTGHWSN-YOEHRIQHSA-N 2 2 323.400 2.419 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157731 361285849 /nfs/dbraw/zinc/28/58/49/361285849.db2.gz SMIINGWSRMOQCG-INIZCTEOSA-N 2 2 323.400 2.420 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157731 361285854 /nfs/dbraw/zinc/28/58/54/361285854.db2.gz SMIINGWSRMOQCG-INIZCTEOSA-N 2 2 323.400 2.420 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157732 361285919 /nfs/dbraw/zinc/28/59/19/361285919.db2.gz SMIINGWSRMOQCG-MRXNPFEDSA-N 2 2 323.400 2.420 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157732 361285925 /nfs/dbraw/zinc/28/59/25/361285925.db2.gz SMIINGWSRMOQCG-MRXNPFEDSA-N 2 2 323.400 2.420 20 30 DEEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000609385905 361308492 /nfs/dbraw/zinc/30/84/92/361308492.db2.gz GWMLOOALFNZLIL-KRWDZBQOSA-N 2 2 314.433 2.349 20 30 DEEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000609385905 361308495 /nfs/dbraw/zinc/30/84/95/361308495.db2.gz GWMLOOALFNZLIL-KRWDZBQOSA-N 2 2 314.433 2.349 20 30 DEEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610677297 361443443 /nfs/dbraw/zinc/44/34/43/361443443.db2.gz HQCFJVCTDREMTK-QFBILLFUSA-N 2 2 312.461 2.399 20 30 DEEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610677297 361443446 /nfs/dbraw/zinc/44/34/46/361443446.db2.gz HQCFJVCTDREMTK-QFBILLFUSA-N 2 2 312.461 2.399 20 30 DEEDLP C=CCc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc(OC)c1O ZINC000622004923 364630996 /nfs/dbraw/zinc/63/09/96/364630996.db2.gz WIWPRJDBBUASQY-YJBOKZPZSA-N 2 2 302.418 2.443 20 30 DEEDLP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc(OC)c1O ZINC000622004923 364630999 /nfs/dbraw/zinc/63/09/99/364630999.db2.gz WIWPRJDBBUASQY-YJBOKZPZSA-N 2 2 302.418 2.443 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795297 194286911 /nfs/dbraw/zinc/28/69/11/194286911.db2.gz OWNLJXPBAZBPAD-CQSZACIVSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000291686218 404478612 /nfs/dbraw/zinc/47/86/12/404478612.db2.gz IKQCFMIFLXLMQO-MRXNPFEDSA-N 3 2 314.477 2.310 20 30 DEEDLP CC(C)(CCC#N)C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000112683388 401753645 /nfs/dbraw/zinc/75/36/45/401753645.db2.gz ORODAMWLRDGLFI-SFHVURJKSA-N 2 2 315.461 2.325 20 30 DEEDLP CC(C)(CCC#N)C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000112683388 401753646 /nfs/dbraw/zinc/75/36/46/401753646.db2.gz ORODAMWLRDGLFI-SFHVURJKSA-N 2 2 315.461 2.325 20 30 DEEDLP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129995915 401814755 /nfs/dbraw/zinc/81/47/55/401814755.db2.gz VEJYQFDGABPRBZ-IBGZPJMESA-N 2 2 317.477 2.347 20 30 DEEDLP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129995915 401814759 /nfs/dbraw/zinc/81/47/59/401814759.db2.gz VEJYQFDGABPRBZ-IBGZPJMESA-N 2 2 317.477 2.347 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066666892 402139610 /nfs/dbraw/zinc/13/96/10/402139610.db2.gz BPUMOQJUDFGONL-UHFFFAOYSA-N 2 2 313.873 2.005 20 30 DEEDLP C=CCOc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000124216788 402169396 /nfs/dbraw/zinc/16/93/96/402169396.db2.gz SDAJJARSDAIFDF-INIZCTEOSA-N 2 2 304.434 2.452 20 30 DEEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)c1cccc(F)c1 ZINC000170906457 402540836 /nfs/dbraw/zinc/54/08/36/402540836.db2.gz UDJXETCBSXRJSW-CQSZACIVSA-N 2 2 301.369 2.250 20 30 DEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000248737963 402606060 /nfs/dbraw/zinc/60/60/60/402606060.db2.gz DUTFCZNDIJHUSI-LZQZEXGQSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000248737963 402606061 /nfs/dbraw/zinc/60/60/61/402606061.db2.gz DUTFCZNDIJHUSI-LZQZEXGQSA-N 2 2 313.445 2.078 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294099140 403647788 /nfs/dbraw/zinc/64/77/88/403647788.db2.gz BUZLZKXDOGHBED-UHFFFAOYSA-N 3 2 300.450 2.290 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000348103641 404041139 /nfs/dbraw/zinc/04/11/39/404041139.db2.gz OPPHVWCWMYWSPM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000348103641 404041148 /nfs/dbraw/zinc/04/11/48/404041148.db2.gz OPPHVWCWMYWSPM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000348103641 404041159 /nfs/dbraw/zinc/04/11/59/404041159.db2.gz OPPHVWCWMYWSPM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000348103641 404041168 /nfs/dbraw/zinc/04/11/68/404041168.db2.gz OPPHVWCWMYWSPM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873774 404071202 /nfs/dbraw/zinc/07/12/02/404071202.db2.gz ZQXPNHLOSJMMEX-QILLFSRXSA-N 2 2 315.417 2.103 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873774 404071206 /nfs/dbraw/zinc/07/12/06/404071206.db2.gz ZQXPNHLOSJMMEX-QILLFSRXSA-N 2 2 315.417 2.103 20 30 DEEDLP C=CCOc1ccc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1OC ZINC000414937620 404770558 /nfs/dbraw/zinc/77/05/58/404770558.db2.gz DIBOERRDXRWJSR-SFHVURJKSA-N 2 2 320.433 2.118 20 30 DEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nn1 ZINC000424295958 405060746 /nfs/dbraw/zinc/06/07/46/405060746.db2.gz NWJFSZXEADLHJC-AEFFLSMTSA-N 2 2 311.433 2.389 20 30 DEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nn1 ZINC000424295958 405060749 /nfs/dbraw/zinc/06/07/49/405060749.db2.gz NWJFSZXEADLHJC-AEFFLSMTSA-N 2 2 311.433 2.389 20 30 DEEDLP COc1cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N ZINC000440803212 405327207 /nfs/dbraw/zinc/32/72/07/405327207.db2.gz CBUBYWHSEKQMJJ-KRWDZBQOSA-N 2 2 317.433 2.013 20 30 DEEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1C#N ZINC000440803212 405327210 /nfs/dbraw/zinc/32/72/10/405327210.db2.gz CBUBYWHSEKQMJJ-KRWDZBQOSA-N 2 2 317.433 2.013 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430605310 405465528 /nfs/dbraw/zinc/46/55/28/405465528.db2.gz QNOAUVNBLLSBIP-ZDUSSCGKSA-N 2 2 307.463 2.074 20 30 DEEDLP C[N@H+](C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343899 405862406 /nfs/dbraw/zinc/86/24/06/405862406.db2.gz RNFCJUONJCKOOI-IBGZPJMESA-N 2 2 311.429 2.102 20 30 DEEDLP C[N@@H+](C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343899 405862415 /nfs/dbraw/zinc/86/24/15/405862415.db2.gz RNFCJUONJCKOOI-IBGZPJMESA-N 2 2 311.429 2.102 20 30 DEEDLP C[NH+](C[C@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343899 405862421 /nfs/dbraw/zinc/86/24/21/405862421.db2.gz RNFCJUONJCKOOI-IBGZPJMESA-N 2 2 311.429 2.102 20 30 DEEDLP C#CC[NH+]1CCC(c2nc(CCc3[nH+]cccc3C)no2)CC1 ZINC000491327503 406569546 /nfs/dbraw/zinc/56/95/46/406569546.db2.gz VYHVZYWPNCRGKT-UHFFFAOYSA-N 2 2 310.401 2.371 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000491709604 406682133 /nfs/dbraw/zinc/68/21/33/406682133.db2.gz QWKPNLXGOKRCAT-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000491709604 406682137 /nfs/dbraw/zinc/68/21/37/406682137.db2.gz QWKPNLXGOKRCAT-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000554075123 406783032 /nfs/dbraw/zinc/78/30/32/406783032.db2.gz QWBFPZQEZUJLMU-MAUKXSAKSA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000554075123 406783037 /nfs/dbraw/zinc/78/30/37/406783037.db2.gz QWBFPZQEZUJLMU-MAUKXSAKSA-N 2 2 316.449 2.180 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657351952 425314082 /nfs/dbraw/zinc/31/40/82/425314082.db2.gz CLAJAFXAYDFXRJ-UHFFFAOYSA-N 2 2 302.344 2.179 20 30 DEEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838769 277101802 /nfs/dbraw/zinc/10/18/02/277101802.db2.gz DYJHSDIKHQOOSH-HKUYNNGSSA-N 2 2 312.461 2.161 20 30 DEEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838769 277101804 /nfs/dbraw/zinc/10/18/04/277101804.db2.gz DYJHSDIKHQOOSH-HKUYNNGSSA-N 2 2 312.461 2.161 20 30 DEEDLP C[NH+](C)[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000329813357 289274593 /nfs/dbraw/zinc/27/45/93/289274593.db2.gz DKHGHWSUVMQGGG-HNNXBMFYSA-N 2 2 319.453 2.123 20 30 DEEDLP C=CC(C)(C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013171 526941836 /nfs/dbraw/zinc/94/18/36/526941836.db2.gz FADOIFMBUOJZNS-UHFFFAOYSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CC(C)(C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013171 526941845 /nfs/dbraw/zinc/94/18/45/526941845.db2.gz FADOIFMBUOJZNS-UHFFFAOYSA-N 2 2 307.482 2.217 20 30 DEEDLP CC(C)CCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264074710 527722188 /nfs/dbraw/zinc/72/21/88/527722188.db2.gz FIPAZWMURJJBSJ-UHFFFAOYSA-N 2 2 303.385 2.462 20 30 DEEDLP CC(C)Cc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262253053 528654669 /nfs/dbraw/zinc/65/46/69/528654669.db2.gz DFXKUCAKXZRHDU-RHSMWYFYSA-N 2 2 302.466 2.425 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001379650748 1152664890 /nfs/dbraw/zinc/66/48/90/1152664890.db2.gz IWADZDBREBUTLI-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001379650748 1152664896 /nfs/dbraw/zinc/66/48/96/1152664896.db2.gz IWADZDBREBUTLI-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001379650748 1152664898 /nfs/dbraw/zinc/66/48/98/1152664898.db2.gz IWADZDBREBUTLI-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001379650748 1152664901 /nfs/dbraw/zinc/66/49/01/1152664901.db2.gz IWADZDBREBUTLI-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585513 625333460 /nfs/dbraw/zinc/33/34/60/625333460.db2.gz GBBDNISAFRPJOQ-HUUCEWRRSA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585513 625333462 /nfs/dbraw/zinc/33/34/62/625333462.db2.gz GBBDNISAFRPJOQ-HUUCEWRRSA-N 2 2 316.449 2.234 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421574 625420204 /nfs/dbraw/zinc/42/02/04/625420204.db2.gz CRQXCWZLLPMNDG-DOTOQJQBSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421574 625420208 /nfs/dbraw/zinc/42/02/08/625420208.db2.gz CRQXCWZLLPMNDG-DOTOQJQBSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482156 625474941 /nfs/dbraw/zinc/47/49/41/625474941.db2.gz MWNYHXBONPRSQM-CVEARBPZSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482156 625474944 /nfs/dbraw/zinc/47/49/44/625474944.db2.gz MWNYHXBONPRSQM-CVEARBPZSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001026558463 625524981 /nfs/dbraw/zinc/52/49/81/625524981.db2.gz IDYGIHGKUXHQDA-NRXISQOPSA-N 2 2 316.449 2.423 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001026558970 625525061 /nfs/dbraw/zinc/52/50/61/625525061.db2.gz UBXSIOSAKIULOC-RUXDESIVSA-N 2 2 302.422 2.033 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001020871510 623168022 /nfs/dbraw/zinc/16/80/22/623168022.db2.gz MSGIVDHAMIGPKU-WKILWMFISA-N 2 2 310.401 2.299 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970158342 623200005 /nfs/dbraw/zinc/20/00/05/623200005.db2.gz QFSZGVWEBZSWTC-LBPRGKRZSA-N 2 2 318.808 2.137 20 30 DEEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970681044 623613976 /nfs/dbraw/zinc/61/39/76/623613976.db2.gz FVKJOMHTSDEEFG-HNNXBMFYSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971768382 624541192 /nfs/dbraw/zinc/54/11/92/624541192.db2.gz QXUMVVTZZYSFNN-OAHLLOKOSA-N 2 2 304.438 2.035 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000971768382 624541193 /nfs/dbraw/zinc/54/11/93/624541193.db2.gz QXUMVVTZZYSFNN-OAHLLOKOSA-N 2 2 304.438 2.035 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447217 625771529 /nfs/dbraw/zinc/77/15/29/625771529.db2.gz SMAINEWODRXKGO-RBSFLKMASA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447217 625771534 /nfs/dbraw/zinc/77/15/34/625771534.db2.gz SMAINEWODRXKGO-RBSFLKMASA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447217 625771541 /nfs/dbraw/zinc/77/15/41/625771541.db2.gz SMAINEWODRXKGO-RBSFLKMASA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447217 625771547 /nfs/dbraw/zinc/77/15/47/625771547.db2.gz SMAINEWODRXKGO-RBSFLKMASA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975043110 633395805 /nfs/dbraw/zinc/39/58/05/633395805.db2.gz PYXKVTFFPZFIQU-UKRRQHHQSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975043110 633395810 /nfs/dbraw/zinc/39/58/10/633395810.db2.gz PYXKVTFFPZFIQU-UKRRQHHQSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027489931 633879494 /nfs/dbraw/zinc/87/94/94/633879494.db2.gz GWEDGVWXZSCLKN-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027489931 633879496 /nfs/dbraw/zinc/87/94/96/633879496.db2.gz GWEDGVWXZSCLKN-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980232335 634907239 /nfs/dbraw/zinc/90/72/39/634907239.db2.gz WGYIKGYKTKZLNR-HRCADAONSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980232335 634907245 /nfs/dbraw/zinc/90/72/45/634907245.db2.gz WGYIKGYKTKZLNR-HRCADAONSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001003604907 636005161 /nfs/dbraw/zinc/00/51/61/636005161.db2.gz BMVLXFCXCMMAFI-HNNXBMFYSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003629062 636007700 /nfs/dbraw/zinc/00/77/00/636007700.db2.gz XTZVWPQINIUACK-UHFFFAOYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003629062 636007701 /nfs/dbraw/zinc/00/77/01/636007701.db2.gz XTZVWPQINIUACK-UHFFFAOYSA-N 2 2 313.873 2.051 20 30 DEEDLP COC(OC)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000922313490 636081638 /nfs/dbraw/zinc/08/16/38/636081638.db2.gz QIHFOCHYDFZLLJ-CQSZACIVSA-N 2 2 317.433 2.120 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004201931 636220579 /nfs/dbraw/zinc/22/05/79/636220579.db2.gz SXKVJIUCRRRNQJ-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004201931 636220580 /nfs/dbraw/zinc/22/05/80/636220580.db2.gz SXKVJIUCRRRNQJ-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946833917 636867031 /nfs/dbraw/zinc/86/70/31/636867031.db2.gz OEXZCYSKJLLKJE-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946833917 636867039 /nfs/dbraw/zinc/86/70/39/636867039.db2.gz OEXZCYSKJLLKJE-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001006293194 637332038 /nfs/dbraw/zinc/33/20/38/637332038.db2.gz YBEDNEIGLHKEGK-UHFFFAOYSA-N 2 2 304.438 2.186 20 30 DEEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)N1 ZINC000262629314 639626204 /nfs/dbraw/zinc/62/62/04/639626204.db2.gz FHXWWIXWSBRQKK-DOMZBBRYSA-N 2 2 306.841 2.414 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000987300436 640160607 /nfs/dbraw/zinc/16/06/07/640160607.db2.gz OIXZSEBSGHMULD-WMLDXEAASA-N 2 2 310.401 2.251 20 30 DEEDLP N#Cc1ccc([C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000763231374 640519691 /nfs/dbraw/zinc/51/96/91/640519691.db2.gz NAICINWVRKBAHS-GOSISDBHSA-N 2 2 322.412 2.245 20 30 DEEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743407 641217334 /nfs/dbraw/zinc/21/73/34/641217334.db2.gz PKMHFDMIPOUYMQ-GOSISDBHSA-N 2 2 315.461 2.400 20 30 DEEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743407 641217340 /nfs/dbraw/zinc/21/73/40/641217340.db2.gz PKMHFDMIPOUYMQ-GOSISDBHSA-N 2 2 315.461 2.400 20 30 DEEDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000776731022 642201008 /nfs/dbraw/zinc/20/10/08/642201008.db2.gz CWKJKYGIBOZEPG-ZDUSSCGKSA-N 2 2 305.397 2.459 20 30 DEEDLP C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780637583 642653036 /nfs/dbraw/zinc/65/30/36/642653036.db2.gz RZFYOLYPHYRNKB-SFHVURJKSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CCCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780637583 642653039 /nfs/dbraw/zinc/65/30/39/642653039.db2.gz RZFYOLYPHYRNKB-SFHVURJKSA-N 2 2 319.493 2.197 20 30 DEEDLP C[C@H]1C[C@H](CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000783039126 642956281 /nfs/dbraw/zinc/95/62/81/642956281.db2.gz HOASPKDJAZLPQU-DZGCQCFKSA-N 2 2 305.422 2.200 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794220564 644379689 /nfs/dbraw/zinc/37/96/89/644379689.db2.gz GNJNMFLPFVPVMW-INIZCTEOSA-N 2 2 319.836 2.438 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794220564 644379693 /nfs/dbraw/zinc/37/96/93/644379693.db2.gz GNJNMFLPFVPVMW-INIZCTEOSA-N 2 2 319.836 2.438 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314772 646518840 /nfs/dbraw/zinc/51/88/40/646518840.db2.gz HVWPAJOZJVNOTF-CZUORRHYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314772 646518842 /nfs/dbraw/zinc/51/88/42/646518842.db2.gz HVWPAJOZJVNOTF-CZUORRHYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000992668834 647182698 /nfs/dbraw/zinc/18/26/98/647182698.db2.gz PNPFQYIHVBRWJM-BZUAXINKSA-N 2 2 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C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480265041 1062558049 /nfs/dbraw/zinc/55/80/49/1062558049.db2.gz DSXYOPVWNGGOKQ-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480265041 1062558066 /nfs/dbraw/zinc/55/80/66/1062558066.db2.gz DSXYOPVWNGGOKQ-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480265041 1062558083 /nfs/dbraw/zinc/55/80/83/1062558083.db2.gz DSXYOPVWNGGOKQ-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001480402419 1062807182 /nfs/dbraw/zinc/80/71/82/1062807182.db2.gz BCTRHXZIRJYDNE-UHFFFAOYSA-N 2 2 310.829 2.112 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001480402419 1062807199 /nfs/dbraw/zinc/80/71/99/1062807199.db2.gz BCTRHXZIRJYDNE-UHFFFAOYSA-N 2 2 310.829 2.112 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001480463643 1062899376 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ZINC001665664425 1081058336 /nfs/dbraw/zinc/05/83/36/1081058336.db2.gz LZWPFZXUIYGRKU-CVEARBPZSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001667492552 1081257886 /nfs/dbraw/zinc/25/78/86/1081257886.db2.gz BLSCAUHUZIYYDC-OAGGEKHMSA-N 2 2 318.465 2.220 20 30 DEEDLP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001269558752 1081289866 /nfs/dbraw/zinc/28/98/66/1081289866.db2.gz GJRKUDZFWFRISE-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001670154074 1081499522 /nfs/dbraw/zinc/49/95/22/1081499522.db2.gz VEOZVNISCMBHRL-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001672381657 1081590624 /nfs/dbraw/zinc/59/06/24/1081590624.db2.gz XMFZUXJORKXEQN-QAQDUYKDSA-N 2 2 318.465 2.362 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001270737166 1081618072 /nfs/dbraw/zinc/61/80/72/1081618072.db2.gz HAQGHGITQGETSM-RKVPGOIHSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001270737166 1081618077 /nfs/dbraw/zinc/61/80/77/1081618077.db2.gz HAQGHGITQGETSM-RKVPGOIHSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001672815815 1081629133 /nfs/dbraw/zinc/62/91/33/1081629133.db2.gz KLWZQCQYTSBKMB-INIZCTEOSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001270806990 1081720583 /nfs/dbraw/zinc/72/05/83/1081720583.db2.gz SWBXYVGHVBSJRI-AWEZNQCLSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC001270806990 1081720587 /nfs/dbraw/zinc/72/05/87/1081720587.db2.gz SWBXYVGHVBSJRI-AWEZNQCLSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001270830237 1081735002 /nfs/dbraw/zinc/73/50/02/1081735002.db2.gz PSGBEPQTDMLLRM-QGZVFWFLSA-N 2 2 304.438 2.055 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482490238 1082048702 /nfs/dbraw/zinc/04/87/02/1082048702.db2.gz LLOWFBNRZXKBFC-KBXCAEBGSA-N 2 2 324.428 2.417 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001482497093 1082122281 /nfs/dbraw/zinc/12/22/81/1082122281.db2.gz BMNLUBHPCMHYBX-RDJZCZTQSA-N 2 2 318.465 2.146 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001271728365 1082125219 /nfs/dbraw/zinc/12/52/19/1082125219.db2.gz SBJAFSWERWINTF-DOTOQJQBSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001271728366 1082125334 /nfs/dbraw/zinc/12/53/34/1082125334.db2.gz SBJAFSWERWINTF-NVXWUHKLSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001482535913 1082176166 /nfs/dbraw/zinc/17/61/66/1082176166.db2.gz HXDSYGYSHDENMI-RBSFLKMASA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001482535913 1082176167 /nfs/dbraw/zinc/17/61/67/1082176167.db2.gz HXDSYGYSHDENMI-RBSFLKMASA-N 2 2 304.438 2.210 20 30 DEEDLP CC#CC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001482548108 1082200311 /nfs/dbraw/zinc/20/03/11/1082200311.db2.gz XSKWZYISLDYUGW-SFHVURJKSA-N 2 2 324.428 2.240 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574267 1083489957 /nfs/dbraw/zinc/48/99/57/1083489957.db2.gz VHWDOCQGXLJSAL-YXJHDRRASA-N 2 2 316.449 2.135 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574267 1083489964 /nfs/dbraw/zinc/48/99/64/1083489964.db2.gz VHWDOCQGXLJSAL-YXJHDRRASA-N 2 2 316.449 2.135 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574267 1083489970 /nfs/dbraw/zinc/48/99/70/1083489970.db2.gz VHWDOCQGXLJSAL-YXJHDRRASA-N 2 2 316.449 2.135 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574267 1083489978 /nfs/dbraw/zinc/48/99/78/1083489978.db2.gz VHWDOCQGXLJSAL-YXJHDRRASA-N 2 2 316.449 2.135 20 30 DEEDLP N#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943008 1084419511 /nfs/dbraw/zinc/41/95/11/1084419511.db2.gz JVXAHVSDYXLBDQ-GOSISDBHSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943008 1084419515 /nfs/dbraw/zinc/41/95/15/1084419515.db2.gz JVXAHVSDYXLBDQ-GOSISDBHSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943008 1084419519 /nfs/dbraw/zinc/41/95/19/1084419519.db2.gz JVXAHVSDYXLBDQ-GOSISDBHSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943008 1084419523 /nfs/dbraw/zinc/41/95/23/1084419523.db2.gz JVXAHVSDYXLBDQ-GOSISDBHSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943009 1084419936 /nfs/dbraw/zinc/41/99/36/1084419936.db2.gz JVXAHVSDYXLBDQ-SFHVURJKSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943009 1084419940 /nfs/dbraw/zinc/41/99/40/1084419940.db2.gz JVXAHVSDYXLBDQ-SFHVURJKSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943009 1084419945 /nfs/dbraw/zinc/41/99/45/1084419945.db2.gz JVXAHVSDYXLBDQ-SFHVURJKSA-N 2 2 314.433 2.379 20 30 DEEDLP N#CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943009 1084419950 /nfs/dbraw/zinc/41/99/50/1084419950.db2.gz JVXAHVSDYXLBDQ-SFHVURJKSA-N 2 2 314.433 2.379 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963432130 1086452168 /nfs/dbraw/zinc/45/21/68/1086452168.db2.gz AEMNEDWOEVBQQP-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963432130 1086452177 /nfs/dbraw/zinc/45/21/77/1086452177.db2.gz AEMNEDWOEVBQQP-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626329 1088470998 /nfs/dbraw/zinc/47/09/98/1088470998.db2.gz LNCQZHAMUOGMBF-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCCC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001274752427 1091397356 /nfs/dbraw/zinc/39/73/56/1091397356.db2.gz BGXQUBQLMJVSGB-CYBMUJFWSA-N 2 2 300.406 2.317 20 30 DEEDLP C=C(Cl)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274124476 1093810396 /nfs/dbraw/zinc/81/03/96/1093810396.db2.gz GZODNQDMNNZNJB-IHWYPQMZSA-N 2 2 304.781 2.191 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001691731969 1138215770 /nfs/dbraw/zinc/21/57/70/1138215770.db2.gz HMHDPBRFMWUKFL-NVXWUHKLSA-N 2 2 318.465 2.146 20 30 DEEDLP CCCCCCCOC(=O)N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239336702 1139023940 /nfs/dbraw/zinc/02/39/40/1139023940.db2.gz ODHWYTCOXKBUTH-INIZCTEOSA-N 2 2 311.470 2.448 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001318663003 1140381568 /nfs/dbraw/zinc/38/15/68/1140381568.db2.gz FCHCHACCNIIMEI-CQSZACIVSA-N 2 2 304.438 2.326 20 30 DEEDLP C=CCC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001318756110 1140402209 /nfs/dbraw/zinc/40/22/09/1140402209.db2.gz BCYYGOZPYLFRFC-MAUKXSAKSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001319085014 1140501734 /nfs/dbraw/zinc/50/17/34/1140501734.db2.gz JPLOKGJUCCGYMT-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001319696171 1140672007 /nfs/dbraw/zinc/67/20/07/1140672007.db2.gz IPAWKOQSAZXWQP-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001319779851 1140712791 /nfs/dbraw/zinc/71/27/91/1140712791.db2.gz WKPXAAFSDOXXKG-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001245997566 1140843572 /nfs/dbraw/zinc/84/35/72/1140843572.db2.gz UYINWXVJARQXIQ-YESZJQIVSA-N 2 2 300.487 2.048 20 30 DEEDLP C#CC[C@@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247609078 1141387877 /nfs/dbraw/zinc/38/78/77/1141387877.db2.gz DONRPKLTJWJILO-CEFACKQISA-N 2 2 309.373 2.221 20 30 DEEDLP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CC[C@@H](C#N)C2)CCC([NH3+])CC1 ZINC001254634623 1143292529 /nfs/dbraw/zinc/29/25/29/1143292529.db2.gz AOQVFKOJTOFLKF-SMOJQAGNSA-N 2 2 307.438 2.250 20 30 DEEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001279012457 1143902376 /nfs/dbraw/zinc/90/23/76/1143902376.db2.gz NLTXJFUPQHESQU-NVXWUHKLSA-N 2 2 313.445 2.470 20 30 DEEDLP C=C1C[C@@H]2CC(n3c[nH+]cc3CCNC(=O)CC[NH3+])C[C@H](C1)C2 ZINC001257888070 1143957669 /nfs/dbraw/zinc/95/76/69/1143957669.db2.gz VYZIRIBIGUKBTB-FKEKPDDDSA-N 2 2 316.449 2.198 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264125118 1144475816 /nfs/dbraw/zinc/47/58/16/1144475816.db2.gz CBEDNIZGASROSB-OAHLLOKOSA-N 2 2 316.449 2.071 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319618 1144692609 /nfs/dbraw/zinc/69/26/09/1144692609.db2.gz OJTUBCQBYLDQCB-HNNXBMFYSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319618 1144692610 /nfs/dbraw/zinc/69/26/10/1144692610.db2.gz OJTUBCQBYLDQCB-HNNXBMFYSA-N 2 2 313.873 2.196 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265496750 1144707256 /nfs/dbraw/zinc/70/72/56/1144707256.db2.gz CAOLPDPNJYHQKS-FZKCQIBNSA-N 2 2 304.438 2.426 20 30 DEEDLP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001280355165 1144836430 /nfs/dbraw/zinc/83/64/30/1144836430.db2.gz YOCRLCPNJNELRM-INIZCTEOSA-N 2 2 324.428 2.264 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001284639924 1145882805 /nfs/dbraw/zinc/88/28/05/1145882805.db2.gz CVJFEMJNZQETHM-HOCLYGCPSA-N 2 2 320.481 2.438 20 30 DEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284725711 1145895896 /nfs/dbraw/zinc/89/58/96/1145895896.db2.gz CRVIEPACDYWXKE-CABCVRRESA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317380370 1147366786 /nfs/dbraw/zinc/36/67/86/1147366786.db2.gz BKMQTBOCUFPXKB-OAHLLOKOSA-N 2 2 304.438 2.150 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317380370 1147366789 /nfs/dbraw/zinc/36/67/89/1147366789.db2.gz BKMQTBOCUFPXKB-OAHLLOKOSA-N 2 2 304.438 2.150 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001316786478 1147600139 /nfs/dbraw/zinc/60/01/39/1147600139.db2.gz LTFJATHNNLYINV-IXDOHACOSA-N 2 2 316.449 2.073 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001316786478 1147600143 /nfs/dbraw/zinc/60/01/43/1147600143.db2.gz LTFJATHNNLYINV-IXDOHACOSA-N 2 2 316.449 2.073 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324798836 1147846352 /nfs/dbraw/zinc/84/63/52/1147846352.db2.gz PUVYKRVVASQNFI-NVXWUHKLSA-N 2 2 304.438 2.239 20 30 DEEDLP C[C@]1(C#N)CCC[NH+](CCOCC[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165448 361762610 /nfs/dbraw/zinc/76/26/10/361762610.db2.gz LXEAYURADDCNFA-QZTJIDSGSA-N 2 2 318.465 2.254 20 30 DEEDLP C[C@]1(C#N)CCC[NH+](CCOCC[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165448 361762613 /nfs/dbraw/zinc/76/26/13/361762613.db2.gz LXEAYURADDCNFA-QZTJIDSGSA-N 2 2 318.465 2.254 20 30 DEEDLP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000331486405 529973450 /nfs/dbraw/zinc/97/34/50/529973450.db2.gz UUMCLGOTNLAKBB-CEXWTWQISA-N 2 2 313.445 2.247 20 30 DEEDLP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000331486405 529973451 /nfs/dbraw/zinc/97/34/51/529973451.db2.gz UUMCLGOTNLAKBB-CEXWTWQISA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000331486405 529973453 /nfs/dbraw/zinc/97/34/53/529973453.db2.gz UUMCLGOTNLAKBB-CEXWTWQISA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000331486405 529973454 /nfs/dbraw/zinc/97/34/54/529973454.db2.gz UUMCLGOTNLAKBB-CEXWTWQISA-N 2 2 313.445 2.247 20 30 DEEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000173619280 198232745 /nfs/dbraw/zinc/23/27/45/198232745.db2.gz UYEDCSBCETTXMI-AWEZNQCLSA-N 2 2 314.433 2.348 20 30 DEEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)o1 ZINC000174247157 198309732 /nfs/dbraw/zinc/30/97/32/198309732.db2.gz KYXGVYJUTIOJAL-UHFFFAOYSA-N 2 2 311.385 2.273 20 30 DEEDLP CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000064248920 354663446 /nfs/dbraw/zinc/66/34/46/354663446.db2.gz BRSYPAFPIISEEY-BBRMVZONSA-N 2 2 314.433 2.496 20 30 DEEDLP CC[N@H+](C[C@@H](C)C#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000064248920 354663451 /nfs/dbraw/zinc/66/34/51/354663451.db2.gz BRSYPAFPIISEEY-BBRMVZONSA-N 2 2 314.433 2.496 20 30 DEEDLP CCn1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000589194452 357453496 /nfs/dbraw/zinc/45/34/96/357453496.db2.gz CHWNSVMGVMBPDG-UHFFFAOYSA-N 2 2 311.433 2.338 20 30 DEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000590602379 357565516 /nfs/dbraw/zinc/56/55/16/357565516.db2.gz LKDPUOPJKXYAFE-SFHVURJKSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000590602379 357565519 /nfs/dbraw/zinc/56/55/19/357565519.db2.gz LKDPUOPJKXYAFE-SFHVURJKSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC000590602379 357565521 /nfs/dbraw/zinc/56/55/21/357565521.db2.gz LKDPUOPJKXYAFE-SFHVURJKSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC000590602379 357565524 /nfs/dbraw/zinc/56/55/24/357565524.db2.gz LKDPUOPJKXYAFE-SFHVURJKSA-N 2 2 301.434 2.247 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000591501533 357731398 /nfs/dbraw/zinc/73/13/98/357731398.db2.gz LMGHRKGODOBXAU-QGZVFWFLSA-N 2 2 317.408 2.430 20 30 DEEDLP Cn1nccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693028 358124344 /nfs/dbraw/zinc/12/43/44/358124344.db2.gz MDJWMHNIVIGFNV-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000598594164 359255023 /nfs/dbraw/zinc/25/50/23/359255023.db2.gz YPGFPYGHVNUVEE-HUUCEWRRSA-N 2 2 302.422 2.116 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000598594164 359255025 /nfs/dbraw/zinc/25/50/25/359255025.db2.gz YPGFPYGHVNUVEE-HUUCEWRRSA-N 2 2 302.422 2.116 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)C(C)C ZINC000674711140 541238611 /nfs/dbraw/zinc/23/86/11/541238611.db2.gz QGSUDWNKRBILMW-DLBZAZTESA-N 2 2 317.481 2.213 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860248 781958230 /nfs/dbraw/zinc/95/82/30/781958230.db2.gz BYACYHRIBZUBCR-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860248 781958236 /nfs/dbraw/zinc/95/82/36/781958236.db2.gz BYACYHRIBZUBCR-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001088860248 781958242 /nfs/dbraw/zinc/95/82/42/781958242.db2.gz BYACYHRIBZUBCR-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001088860248 781958248 /nfs/dbraw/zinc/95/82/48/781958248.db2.gz BYACYHRIBZUBCR-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000676557345 541469435 /nfs/dbraw/zinc/46/94/35/541469435.db2.gz SEVWIXCZODHLRK-OKILXGFUSA-N 2 2 310.319 2.088 20 30 DEEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000676557345 541469440 /nfs/dbraw/zinc/46/94/40/541469440.db2.gz SEVWIXCZODHLRK-OKILXGFUSA-N 2 2 310.319 2.088 20 30 DEEDLP CC(C)[NH+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)C ZINC000564987092 292124946 /nfs/dbraw/zinc/12/49/46/292124946.db2.gz SLLLDYJSWMOSNZ-UHFFFAOYSA-N 2 2 314.437 2.199 20 30 DEEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000114723804 401807562 /nfs/dbraw/zinc/80/75/62/401807562.db2.gz WZTYDZOBYUODMY-UHFFFAOYSA-N 2 2 319.474 2.066 20 30 DEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000077281128 401808951 /nfs/dbraw/zinc/80/89/51/401808951.db2.gz CVPHZQQSFHTLDI-UHFFFAOYSA-N 2 2 317.433 2.408 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000103963431 402195368 /nfs/dbraw/zinc/19/53/68/402195368.db2.gz RYKMSPZDLCRICY-UHFFFAOYSA-N 2 2 308.385 2.360 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157028178 402291684 /nfs/dbraw/zinc/29/16/84/402291684.db2.gz BGENUAYWSMPZJQ-SJLPKXTDSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157028178 402291685 /nfs/dbraw/zinc/29/16/85/402291685.db2.gz BGENUAYWSMPZJQ-SJLPKXTDSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157028178 402291687 /nfs/dbraw/zinc/29/16/87/402291687.db2.gz BGENUAYWSMPZJQ-SJLPKXTDSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157028178 402291689 /nfs/dbraw/zinc/29/16/89/402291689.db2.gz BGENUAYWSMPZJQ-SJLPKXTDSA-N 2 2 315.461 2.274 20 30 DEEDLP C[NH+]=C(NCc1ccoc1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179227069 402582123 /nfs/dbraw/zinc/58/21/23/402582123.db2.gz PRROYNHNJWXVJI-DZGCQCFKSA-N 2 2 301.394 2.135 20 30 DEEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000190793017 402623015 /nfs/dbraw/zinc/62/30/15/402623015.db2.gz DIRNAOPFXUZAIY-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000192787200 402749921 /nfs/dbraw/zinc/74/99/21/402749921.db2.gz MDJKLTUUSMKLQK-RDJZCZTQSA-N 3 2 304.482 2.217 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000264529574 402886627 /nfs/dbraw/zinc/88/66/27/402886627.db2.gz ZNKQCXHBZATEKJ-UHFFFAOYSA-N 2 2 324.428 2.312 20 30 DEEDLP C=CCC(CC=C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000268219224 403063056 /nfs/dbraw/zinc/06/30/56/403063056.db2.gz QOUBWGUIDDHNBI-UHFFFAOYSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCC(CC=C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000268219224 403063058 /nfs/dbraw/zinc/06/30/58/403063058.db2.gz QOUBWGUIDDHNBI-UHFFFAOYSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284305608 403261854 /nfs/dbraw/zinc/26/18/54/403261854.db2.gz ZABZIKXDAXQGFY-GFCCVEGCSA-N 2 2 304.394 2.478 20 30 DEEDLP Cc1c[nH+]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000342789916 403351043 /nfs/dbraw/zinc/35/10/43/403351043.db2.gz YWTBTDUQQSBYNY-UHFFFAOYSA-N 2 2 323.444 2.308 20 30 DEEDLP Cc1c[nH+]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000342789916 403351046 /nfs/dbraw/zinc/35/10/46/403351046.db2.gz YWTBTDUQQSBYNY-UHFFFAOYSA-N 2 2 323.444 2.308 20 30 DEEDLP NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303398319 403753861 /nfs/dbraw/zinc/75/38/61/403753861.db2.gz JHLPLYQEMNROSJ-UHFFFAOYSA-N 2 2 305.385 2.372 20 30 DEEDLP CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CC[NH+](CC)CC1 ZINC000362482216 403957869 /nfs/dbraw/zinc/95/78/69/403957869.db2.gz ZRRBZHAUSLTLRF-UHFFFAOYSA-N 2 2 322.497 2.239 20 30 DEEDLP CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CC[NH+](CC)CC1 ZINC000362482216 403957875 /nfs/dbraw/zinc/95/78/75/403957875.db2.gz ZRRBZHAUSLTLRF-UHFFFAOYSA-N 2 2 322.497 2.239 20 30 DEEDLP C#CC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000328292474 404106881 /nfs/dbraw/zinc/10/68/81/404106881.db2.gz RVPYTLQNYQWDOE-UHFFFAOYSA-N 2 2 320.400 2.183 20 30 DEEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000328292474 404106886 /nfs/dbraw/zinc/10/68/86/404106886.db2.gz RVPYTLQNYQWDOE-UHFFFAOYSA-N 2 2 320.400 2.183 20 30 DEEDLP N#CC1(F)CC[NH+](C/C=C\C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352464875 404389123 /nfs/dbraw/zinc/38/91/23/404389123.db2.gz YJSZZVNTRMEMRM-UPHRSURJSA-N 2 2 308.376 2.198 20 30 DEEDLP [O-]C(=[NH+]C1CC[NH+](C2CCCC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329621116 404395693 /nfs/dbraw/zinc/39/56/93/404395693.db2.gz RMDVOPVFXXCJCI-UHFFFAOYSA-N 2 2 317.437 2.020 20 30 DEEDLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329621116 404395700 /nfs/dbraw/zinc/39/57/00/404395700.db2.gz RMDVOPVFXXCJCI-UHFFFAOYSA-N 2 2 317.437 2.020 20 30 DEEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330245990 404598792 /nfs/dbraw/zinc/59/87/92/404598792.db2.gz DYBBUPPNRVVEHS-CABCVRRESA-N 2 2 319.453 2.438 20 30 DEEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000330245990 404598802 /nfs/dbraw/zinc/59/88/02/404598802.db2.gz DYBBUPPNRVVEHS-CABCVRRESA-N 2 2 319.453 2.438 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360323744 404825333 /nfs/dbraw/zinc/82/53/33/404825333.db2.gz QJZSRYNEIIPVRB-MRXNPFEDSA-N 2 2 307.482 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360323744 404825335 /nfs/dbraw/zinc/82/53/35/404825335.db2.gz QJZSRYNEIIPVRB-MRXNPFEDSA-N 2 2 307.482 2.360 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cn[nH]c3)CC2)cc1 ZINC000353629131 404891242 /nfs/dbraw/zinc/89/12/42/404891242.db2.gz YLWAAVYRYRHASM-UHFFFAOYSA-N 2 2 309.417 2.078 20 30 DEEDLP C=CCn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000424173055 405029196 /nfs/dbraw/zinc/02/91/96/405029196.db2.gz OVEDCWDQLIVHDY-UHFFFAOYSA-N 2 2 303.454 2.351 20 30 DEEDLP Cc1cc(NCCc2ccc(OCC[NH+](C)C)cc2)c(C#N)c[nH+]1 ZINC000425230252 405261046 /nfs/dbraw/zinc/26/10/46/405261046.db2.gz SALKGSUWSMEKFO-UHFFFAOYSA-N 2 2 324.428 2.279 20 30 DEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449520223 405595567 /nfs/dbraw/zinc/59/55/67/405595567.db2.gz OUWCWXBTRVTDKW-OCCSQVGLSA-N 2 2 307.463 2.343 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129461605 196050705 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313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001421631221 1171875935 /nfs/dbraw/zinc/87/59/35/1171875935.db2.gz GQJFQLNXXIWUSR-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001422162844 1172361916 /nfs/dbraw/zinc/36/19/16/1172361916.db2.gz QIWQIXAJZVOCET-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001422162844 1172361923 /nfs/dbraw/zinc/36/19/23/1172361923.db2.gz QIWQIXAJZVOCET-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001422162844 1172361930 /nfs/dbraw/zinc/36/19/30/1172361930.db2.gz QIWQIXAJZVOCET-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001422162844 1172361937 /nfs/dbraw/zinc/36/19/37/1172361937.db2.gz QIWQIXAJZVOCET-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001423578560 1173423809 /nfs/dbraw/zinc/42/38/09/1173423809.db2.gz JQYFFIFLJXXQDQ-INIZCTEOSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001423578560 1173423816 /nfs/dbraw/zinc/42/38/16/1173423816.db2.gz JQYFFIFLJXXQDQ-INIZCTEOSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001425240509 1174254113 /nfs/dbraw/zinc/25/41/13/1174254113.db2.gz DFADRVUEXDUMFO-UKRRQHHQSA-N 2 2 315.889 2.296 20 30 DEEDLP Cn1c[nH+]cc1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001434497931 1178673950 /nfs/dbraw/zinc/67/39/50/1178673950.db2.gz UEVZARFXPNTGTO-SFHVURJKSA-N 2 2 310.401 2.205 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001449060751 1185512113 /nfs/dbraw/zinc/51/21/13/1185512113.db2.gz LJPAQGQQVDSKAL-HUUCEWRRSA-N 2 2 324.856 2.290 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001332450811 1149861110 /nfs/dbraw/zinc/86/11/10/1149861110.db2.gz BAHOENAKYBEILR-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C#CC[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001332706704 1149882347 /nfs/dbraw/zinc/88/23/47/1149882347.db2.gz FZIXCSJKFSUEEZ-UHFFFAOYSA-N 2 2 312.417 2.058 20 30 DEEDLP C#CC[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001332706704 1149882351 /nfs/dbraw/zinc/88/23/51/1149882351.db2.gz FZIXCSJKFSUEEZ-UHFFFAOYSA-N 2 2 312.417 2.058 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569278 783218693 /nfs/dbraw/zinc/21/86/93/783218693.db2.gz VAARWOGINARKLT-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569278 783218701 /nfs/dbraw/zinc/21/87/01/783218701.db2.gz VAARWOGINARKLT-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021155 790391584 /nfs/dbraw/zinc/39/15/84/790391584.db2.gz DSNYQCSEUNAYAL-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021155 790391599 /nfs/dbraw/zinc/39/15/99/790391599.db2.gz DSNYQCSEUNAYAL-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167452 776742674 /nfs/dbraw/zinc/74/26/74/776742674.db2.gz ITJKUBRTPMWQQB-CQSZACIVSA-N 2 2 316.449 2.282 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352122 777104236 /nfs/dbraw/zinc/10/42/36/777104236.db2.gz CUIWARGAFKOJCG-ZIAGYGMSSA-N 2 2 312.417 2.437 20 30 DEEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414335 777342498 /nfs/dbraw/zinc/34/24/98/777342498.db2.gz PWQHQGOYRDTLRF-HZPDHXFCSA-N 2 2 324.428 2.045 20 30 DEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104955233 778273819 /nfs/dbraw/zinc/27/38/19/778273819.db2.gz PUYVUEUBZCBYOC-GDBMZVCRSA-N 2 2 318.465 2.301 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001087729978 779426979 /nfs/dbraw/zinc/42/69/79/779426979.db2.gz IEYCXJDHLCMLIC-LVQVYYBASA-N 2 2 316.449 2.069 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001087729978 779426985 /nfs/dbraw/zinc/42/69/85/779426985.db2.gz IEYCXJDHLCMLIC-LVQVYYBASA-N 2 2 316.449 2.069 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001088329560 779965498 /nfs/dbraw/zinc/96/54/98/779965498.db2.gz AQECGAGUPPFYTF-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001088329560 779965500 /nfs/dbraw/zinc/96/55/00/779965500.db2.gz AQECGAGUPPFYTF-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088355835 780018569 /nfs/dbraw/zinc/01/85/69/780018569.db2.gz ITGLJMWUWRDRCL-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085597338 783870686 /nfs/dbraw/zinc/87/06/86/783870686.db2.gz VZNJCXRHJVSOHO-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085597338 783870691 /nfs/dbraw/zinc/87/06/91/783870691.db2.gz VZNJCXRHJVSOHO-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834527 785560639 /nfs/dbraw/zinc/56/06/39/785560639.db2.gz RVXCRQOXZOCYLT-BBWFWOEESA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109773105 786049397 /nfs/dbraw/zinc/04/93/97/786049397.db2.gz GAIWBRDJNQHRII-FZKCQIBNSA-N 2 2 302.422 2.132 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109773105 786049402 /nfs/dbraw/zinc/04/94/02/786049402.db2.gz GAIWBRDJNQHRII-FZKCQIBNSA-N 2 2 302.422 2.132 20 30 DEEDLP C=C(C)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113154817 786419188 /nfs/dbraw/zinc/41/91/88/786419188.db2.gz CNAXJHCQUJPXBQ-UHFFFAOYSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113723509 786778734 /nfs/dbraw/zinc/77/87/34/786778734.db2.gz XPAQZJAPAJDOIE-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001096276119 787600940 /nfs/dbraw/zinc/60/09/40/787600940.db2.gz XLCHWHUPQKAQLN-SQNIBIBYSA-N 2 2 322.412 2.393 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001096276119 787600942 /nfs/dbraw/zinc/60/09/42/787600942.db2.gz XLCHWHUPQKAQLN-SQNIBIBYSA-N 2 2 322.412 2.393 20 30 DEEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369840 788899337 /nfs/dbraw/zinc/89/93/37/788899337.db2.gz SQDNZPRSDQTVAO-UONOGXRCSA-N 2 2 312.417 2.153 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732079 789064283 /nfs/dbraw/zinc/06/42/83/789064283.db2.gz CPQGQJQKCUHVSL-LSDHHAIUSA-N 2 2 319.449 2.472 20 30 DEEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680518 789443773 /nfs/dbraw/zinc/44/37/73/789443773.db2.gz WSHYAPJRUSNHFS-CABCVRRESA-N 2 2 314.433 2.244 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001136176365 789656383 /nfs/dbraw/zinc/65/63/83/789656383.db2.gz RQSCUVDQEVMKPY-UHFFFAOYSA-N 2 2 312.417 2.056 20 30 DEEDLP C#CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547779 789772487 /nfs/dbraw/zinc/77/24/87/789772487.db2.gz XOQLVLQHNGJLNX-DZGCQCFKSA-N 2 2 319.474 2.026 20 30 DEEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547779 789772492 /nfs/dbraw/zinc/77/24/92/789772492.db2.gz XOQLVLQHNGJLNX-DZGCQCFKSA-N 2 2 319.474 2.026 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796430 789922850 /nfs/dbraw/zinc/92/28/50/789922850.db2.gz RREUKPWNZAFTMX-UKRRQHHQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796430 789922853 /nfs/dbraw/zinc/92/28/53/789922853.db2.gz RREUKPWNZAFTMX-UKRRQHHQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935402 791855190 /nfs/dbraw/zinc/85/51/90/791855190.db2.gz QIEONUOATPGGJR-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092728066 792120022 /nfs/dbraw/zinc/12/00/22/792120022.db2.gz DZTVPUXBYLGBFD-UKRRQHHQSA-N 2 2 312.417 2.437 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092728066 792120027 /nfs/dbraw/zinc/12/00/27/792120027.db2.gz DZTVPUXBYLGBFD-UKRRQHHQSA-N 2 2 312.417 2.437 20 30 DEEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871183 792888480 /nfs/dbraw/zinc/88/84/80/792888480.db2.gz GRPDEFOVGQKHGZ-UHFFFAOYSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486693 793095156 /nfs/dbraw/zinc/09/51/56/793095156.db2.gz NEDIUEUKPFCJDR-OAHLLOKOSA-N 2 2 319.449 2.473 20 30 DEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171474339 793106077 /nfs/dbraw/zinc/10/60/77/793106077.db2.gz ACCVMMKGWRMIEL-HNNXBMFYSA-N 2 2 318.465 2.215 20 30 DEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784622 793212590 /nfs/dbraw/zinc/21/25/90/793212590.db2.gz QZVKXKYMZWBSPT-OAHLLOKOSA-N 2 2 312.417 2.236 20 30 DEEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584637 793247379 /nfs/dbraw/zinc/24/73/79/793247379.db2.gz RHDAXSHYPLTTTA-UHFFFAOYSA-N 2 2 318.465 2.383 20 30 DEEDLP CC1(C)C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001171978606 793287102 /nfs/dbraw/zinc/28/71/02/793287102.db2.gz AADGYQUXSGEUOP-ZWKOTPCHSA-N 2 2 312.461 2.227 20 30 DEEDLP CC1(C)C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171978606 793287106 /nfs/dbraw/zinc/28/71/06/793287106.db2.gz AADGYQUXSGEUOP-ZWKOTPCHSA-N 2 2 312.461 2.227 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094963255 793519298 /nfs/dbraw/zinc/51/92/98/793519298.db2.gz XWAGCZSMDVMHPA-XHSDSOJGSA-N 2 2 324.428 2.493 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001095039173 793604582 /nfs/dbraw/zinc/60/45/82/793604582.db2.gz LRRYOXIHENYDHQ-KKUMJFAQSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613603 793672984 /nfs/dbraw/zinc/67/29/84/793672984.db2.gz MCIDASJVFFQPKR-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613603 793672990 /nfs/dbraw/zinc/67/29/90/793672990.db2.gz MCIDASJVFFQPKR-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517377 794130563 /nfs/dbraw/zinc/13/05/63/794130563.db2.gz LDOAEMANDKQEPT-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517377 794130566 /nfs/dbraw/zinc/13/05/66/794130566.db2.gz LDOAEMANDKQEPT-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517377 794130567 /nfs/dbraw/zinc/13/05/67/794130567.db2.gz LDOAEMANDKQEPT-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517377 794130568 /nfs/dbraw/zinc/13/05/68/794130568.db2.gz LDOAEMANDKQEPT-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179244882 795082653 /nfs/dbraw/zinc/08/26/53/795082653.db2.gz JBRVUFOUZCJOAG-YJBOKZPZSA-N 2 2 322.412 2.088 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179258893 795085078 /nfs/dbraw/zinc/08/50/78/795085078.db2.gz WGBIFXBKCJPQJE-PMPSAXMXSA-N 2 2 304.438 2.207 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835949 795693122 /nfs/dbraw/zinc/69/31/22/795693122.db2.gz ZVQKZRXFHMWCJC-QCAIOMPUSA-N 2 2 316.449 2.324 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202856921 796260500 /nfs/dbraw/zinc/26/05/00/796260500.db2.gz NDERYCQATLAMMO-CABCVRRESA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185595006 796290359 /nfs/dbraw/zinc/29/03/59/796290359.db2.gz NGYYLJOOQUXLRG-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187421216 796534383 /nfs/dbraw/zinc/53/43/83/796534383.db2.gz XVVWPEMEUXULPL-OAHLLOKOSA-N 2 2 306.454 2.422 20 30 DEEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361909 797328058 /nfs/dbraw/zinc/32/80/58/797328058.db2.gz HDPGTCTVDALJKW-CQSZACIVSA-N 2 2 312.417 2.106 20 30 DEEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361909 797328064 /nfs/dbraw/zinc/32/80/64/797328064.db2.gz HDPGTCTVDALJKW-CQSZACIVSA-N 2 2 312.417 2.106 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193469329 797570427 /nfs/dbraw/zinc/57/04/27/797570427.db2.gz POAMKLILYBWLRF-CQSZACIVSA-N 2 2 304.438 2.186 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193469329 797570430 /nfs/dbraw/zinc/57/04/30/797570430.db2.gz POAMKLILYBWLRF-CQSZACIVSA-N 2 2 304.438 2.186 20 30 DEEDLP N#Cc1ccc2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155052259 797669721 /nfs/dbraw/zinc/66/97/21/797669721.db2.gz AFUWVMCBUTVERR-UHFFFAOYSA-N 2 2 304.357 2.154 20 30 DEEDLP N#CCc1cc[nH+]c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155381923 797744131 /nfs/dbraw/zinc/74/41/31/797744131.db2.gz FFLDMEVYSNENSO-OAHLLOKOSA-N 2 2 300.406 2.108 20 30 DEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396645 798181585 /nfs/dbraw/zinc/18/15/85/798181585.db2.gz IIFVGGROUXELLV-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396645 798181588 /nfs/dbraw/zinc/18/15/88/798181588.db2.gz IIFVGGROUXELLV-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396645 798181591 /nfs/dbraw/zinc/18/15/91/798181591.db2.gz IIFVGGROUXELLV-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396645 798181592 /nfs/dbraw/zinc/18/15/92/798181592.db2.gz IIFVGGROUXELLV-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511397 798350486 /nfs/dbraw/zinc/35/04/86/798350486.db2.gz BEMBVGUFQOFUBH-KFWWJZLASA-N 2 2 302.422 2.030 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511397 798350493 /nfs/dbraw/zinc/35/04/93/798350493.db2.gz BEMBVGUFQOFUBH-KFWWJZLASA-N 2 2 302.422 2.030 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486415 798414658 /nfs/dbraw/zinc/41/46/58/798414658.db2.gz BEAZIULWBPFGQG-CABCVRRESA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486415 798414665 /nfs/dbraw/zinc/41/46/65/798414665.db2.gz BEAZIULWBPFGQG-CABCVRRESA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856975 798479297 /nfs/dbraw/zinc/47/92/97/798479297.db2.gz TYJXSFJLHDTYGU-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856975 798479299 /nfs/dbraw/zinc/47/92/99/798479299.db2.gz TYJXSFJLHDTYGU-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201892659 798804858 /nfs/dbraw/zinc/80/48/58/798804858.db2.gz GMSRUDIBNLUGIF-OAHLLOKOSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446899 798892283 /nfs/dbraw/zinc/89/22/83/798892283.db2.gz GTBMDWVPULZTOT-OAHLLOKOSA-N 2 2 316.449 2.376 20 30 DEEDLP N#Cc1cc(Cl)c(Cl)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867796 798953193 /nfs/dbraw/zinc/95/31/93/798953193.db2.gz OYFVIMDITFAMHC-UHFFFAOYSA-N 2 2 314.220 2.095 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202699660 799364271 /nfs/dbraw/zinc/36/42/71/799364271.db2.gz NKGZAOJZHSMLKR-OAHLLOKOSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483382 799624684 /nfs/dbraw/zinc/62/46/84/799624684.db2.gz LDCWVHHRBJMVKB-ILXRZTDVSA-N 2 2 319.474 2.331 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483382 799624687 /nfs/dbraw/zinc/62/46/87/799624687.db2.gz LDCWVHHRBJMVKB-ILXRZTDVSA-N 2 2 319.474 2.331 20 30 DEEDLP C#CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1OC ZINC001205770812 800416465 /nfs/dbraw/zinc/41/64/65/800416465.db2.gz PFXISLGZWGABAX-CQSZACIVSA-N 2 2 324.371 2.123 20 30 DEEDLP C#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1OC ZINC001205770812 800416468 /nfs/dbraw/zinc/41/64/68/800416468.db2.gz PFXISLGZWGABAX-CQSZACIVSA-N 2 2 324.371 2.123 20 30 DEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238568 800495118 /nfs/dbraw/zinc/49/51/18/800495118.db2.gz UTIFSWYGVQYYSO-OAHLLOKOSA-N 2 2 316.449 2.234 20 30 DEEDLP C=CCCC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872824 800611342 /nfs/dbraw/zinc/61/13/42/800611342.db2.gz VCTOJYADAYGOGX-UHFFFAOYSA-N 2 2 318.465 2.482 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061577 800903990 /nfs/dbraw/zinc/90/39/90/800903990.db2.gz HUZSVSWRAXFMJE-OWCLPIDISA-N 2 2 318.465 2.144 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061577 800903995 /nfs/dbraw/zinc/90/39/95/800903995.db2.gz HUZSVSWRAXFMJE-OWCLPIDISA-N 2 2 318.465 2.144 20 30 DEEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387321 800972287 /nfs/dbraw/zinc/97/22/87/800972287.db2.gz QQMWHVLZAULAGQ-DLBZAZTESA-N 2 2 316.449 2.074 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230125603 801363600 /nfs/dbraw/zinc/36/36/00/801363600.db2.gz YHYRPWSKFFBYFD-CYBMUJFWSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668878 801442242 /nfs/dbraw/zinc/44/22/42/801442242.db2.gz QQHQMIJQKYILFD-CQSZACIVSA-N 2 2 304.438 2.234 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993917 802041261 /nfs/dbraw/zinc/04/12/61/802041261.db2.gz YLRFVPUPOVRBCQ-BRWVUGGUSA-N 2 2 318.465 2.455 20 30 DEEDLP Cc1cc(C#N)c(F)cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219112896 802283490 /nfs/dbraw/zinc/28/34/90/802283490.db2.gz ZAZRKOUIWZFZGZ-HNNXBMFYSA-N 2 2 312.348 2.217 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987446 802828844 /nfs/dbraw/zinc/82/88/44/802828844.db2.gz NEEJEGZHZBSKLI-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001227953540 803298464 /nfs/dbraw/zinc/29/84/64/803298464.db2.gz INAAYMQPYVLLGT-UHFFFAOYSA-N 2 2 318.465 2.473 20 30 DEEDLP COc1cc2c(cc1O[C@H](CC#N)C[N+](C)(C)C)C=[NH+]CC2 ZINC001228089641 803317449 /nfs/dbraw/zinc/31/74/49/803317449.db2.gz JUFNDBCDAKWRLX-OAHLLOKOSA-N 2 2 302.398 2.037 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001368837110 1148702258 /nfs/dbraw/zinc/70/22/58/1148702258.db2.gz BJAMPYUXPKIXJO-MNOVXSKESA-N 2 2 306.797 2.412 20 30 DEEDLP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001327225007 1148400949 /nfs/dbraw/zinc/40/09/49/1148400949.db2.gz JOFIRCGMYZGHPS-MRXNPFEDSA-N 2 2 318.465 2.192 20 30 DEEDLP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001327225007 1148400953 /nfs/dbraw/zinc/40/09/53/1148400953.db2.gz JOFIRCGMYZGHPS-MRXNPFEDSA-N 2 2 318.465 2.192 20 30 DEEDLP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001328468594 1148800508 /nfs/dbraw/zinc/80/05/08/1148800508.db2.gz NLTWTRYQROIQEZ-ROUUACIJSA-N 2 2 315.461 2.228 20 30 DEEDLP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001328468594 1148800510 /nfs/dbraw/zinc/80/05/10/1148800510.db2.gz NLTWTRYQROIQEZ-ROUUACIJSA-N 2 2 315.461 2.228 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001499917946 1058377050 /nfs/dbraw/zinc/37/70/50/1058377050.db2.gz YZIGBHPKCWJPJR-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001479780574 1061747690 /nfs/dbraw/zinc/74/76/90/1061747690.db2.gz KYCYRLOWGNYVMS-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001479780574 1061747708 /nfs/dbraw/zinc/74/77/08/1061747708.db2.gz KYCYRLOWGNYVMS-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480352602 1062699161 /nfs/dbraw/zinc/69/91/61/1062699161.db2.gz XGFDURQHCPDQAM-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480352602 1062699174 /nfs/dbraw/zinc/69/91/74/1062699174.db2.gz XGFDURQHCPDQAM-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001507963543 1063480988 /nfs/dbraw/zinc/48/09/88/1063480988.db2.gz MFARJKGBGZRYRX-ZBFHGGJFSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001493831190 1063981285 /nfs/dbraw/zinc/98/12/85/1063981285.db2.gz ROGMWNMIKNPADC-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001493838167 1063984537 /nfs/dbraw/zinc/98/45/37/1063984537.db2.gz WKOAENVKKNXFFX-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001567740235 1064393879 /nfs/dbraw/zinc/39/38/79/1064393879.db2.gz XTWNNTWUYJTKHF-LSDHHAIUSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001567740235 1064393888 /nfs/dbraw/zinc/39/38/88/1064393888.db2.gz XTWNNTWUYJTKHF-LSDHHAIUSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494912095 1064569820 /nfs/dbraw/zinc/56/98/20/1064569820.db2.gz DMLDNBPQVWLUDL-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494912095 1064569830 /nfs/dbraw/zinc/56/98/30/1064569830.db2.gz DMLDNBPQVWLUDL-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP CC#CC[NH2+]C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001568039235 1064612096 /nfs/dbraw/zinc/61/20/96/1064612096.db2.gz MCRYTMMZRUZRHT-CRAIPNDOSA-N 2 2 316.449 2.020 20 30 DEEDLP CC#CC[NH2+]C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCC[C@H]1C ZINC001568039235 1064612103 /nfs/dbraw/zinc/61/21/03/1064612103.db2.gz MCRYTMMZRUZRHT-CRAIPNDOSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001568542140 1064954078 /nfs/dbraw/zinc/95/40/78/1064954078.db2.gz ZMMNFZDIAKHKBR-LSDHHAIUSA-N 2 2 304.438 2.101 20 30 DEEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCc2ccccc21 ZINC001620613464 1078166273 /nfs/dbraw/zinc/16/62/73/1078166273.db2.gz GRBMWLWLMBBAKZ-HKUYNNGSSA-N 2 2 300.446 2.312 20 30 DEEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCc2ccccc21 ZINC001620613464 1078166275 /nfs/dbraw/zinc/16/62/75/1078166275.db2.gz GRBMWLWLMBBAKZ-HKUYNNGSSA-N 2 2 300.446 2.312 20 30 DEEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CCCc2ccccc21 ZINC001620613464 1078166278 /nfs/dbraw/zinc/16/62/78/1078166278.db2.gz GRBMWLWLMBBAKZ-HKUYNNGSSA-N 2 2 300.446 2.312 20 30 DEEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CCCc2ccccc21 ZINC001620613464 1078166282 /nfs/dbraw/zinc/16/62/82/1078166282.db2.gz GRBMWLWLMBBAKZ-HKUYNNGSSA-N 2 2 300.446 2.312 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001569131577 1065310970 /nfs/dbraw/zinc/31/09/70/1065310970.db2.gz TXMNHNOVOJUIOJ-OAHLLOKOSA-N 2 2 312.417 2.499 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001569131577 1065310975 /nfs/dbraw/zinc/31/09/75/1065310975.db2.gz TXMNHNOVOJUIOJ-OAHLLOKOSA-N 2 2 312.417 2.499 20 30 DEEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001496281119 1065382195 /nfs/dbraw/zinc/38/21/95/1065382195.db2.gz WURBGCKMYISILF-INIZCTEOSA-N 2 2 301.434 2.374 20 30 DEEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001496341565 1065416282 /nfs/dbraw/zinc/41/62/82/1065416282.db2.gz MQRKOSZEBWQHFN-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001496414673 1065456865 /nfs/dbraw/zinc/45/68/65/1065456865.db2.gz PFCMYTXOPWSAHQ-HNNXBMFYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001570801424 1068120899 /nfs/dbraw/zinc/12/08/99/1068120899.db2.gz UGMYTWYGXPHQAH-HUUCEWRRSA-N 2 2 316.449 2.118 20 30 DEEDLP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001267520764 1078949508 /nfs/dbraw/zinc/94/95/08/1078949508.db2.gz NTFQBDMVCDSEFZ-DLBZAZTESA-N 2 2 324.428 2.079 20 30 DEEDLP C=CCCCCC[NH+]1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001483888565 1079176501 /nfs/dbraw/zinc/17/65/01/1079176501.db2.gz SRYYMTWPUBAKEJ-UHFFFAOYSA-N 2 2 304.438 2.150 20 30 DEEDLP CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074647 1079288365 /nfs/dbraw/zinc/28/83/65/1079288365.db2.gz TWMKCBBOBQWQCB-QGZVFWFLSA-N 2 2 306.454 2.434 20 30 DEEDLP CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074647 1079288372 /nfs/dbraw/zinc/28/83/72/1079288372.db2.gz TWMKCBBOBQWQCB-QGZVFWFLSA-N 2 2 306.454 2.434 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCCCCC ZINC001566756974 1075337419 /nfs/dbraw/zinc/33/74/19/1075337419.db2.gz ALUOUGSPPILWQH-CALCHBBNSA-N 2 2 307.482 2.360 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC001566756974 1075337427 /nfs/dbraw/zinc/33/74/27/1075337427.db2.gz ALUOUGSPPILWQH-CALCHBBNSA-N 2 2 307.482 2.360 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001566756974 1075337429 /nfs/dbraw/zinc/33/74/29/1075337429.db2.gz ALUOUGSPPILWQH-CALCHBBNSA-N 2 2 307.482 2.360 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001566756974 1075337438 /nfs/dbraw/zinc/33/74/38/1075337438.db2.gz ALUOUGSPPILWQH-CALCHBBNSA-N 2 2 307.482 2.360 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703892 1079392061 /nfs/dbraw/zinc/39/20/61/1079392061.db2.gz YOJRLEDHOJRTMZ-GOEBONIOSA-N 2 2 318.465 2.396 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703892 1079392071 /nfs/dbraw/zinc/39/20/71/1079392071.db2.gz YOJRLEDHOJRTMZ-GOEBONIOSA-N 2 2 318.465 2.396 20 30 DEEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566841947 1075358456 /nfs/dbraw/zinc/35/84/56/1075358456.db2.gz LGNGGJSEAWWHSH-XHSDSOJGSA-N 2 2 304.438 2.283 20 30 DEEDLP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001484556913 1079658501 /nfs/dbraw/zinc/65/85/01/1079658501.db2.gz AIBSLKFPHNOYRV-MRXNPFEDSA-N 2 2 324.428 2.216 20 30 DEEDLP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001484556913 1079658510 /nfs/dbraw/zinc/65/85/10/1079658510.db2.gz AIBSLKFPHNOYRV-MRXNPFEDSA-N 2 2 324.428 2.216 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001481351001 1079745469 /nfs/dbraw/zinc/74/54/69/1079745469.db2.gz VZLXDUWGJKUOCC-INIZCTEOSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001481351001 1079745478 /nfs/dbraw/zinc/74/54/78/1079745478.db2.gz VZLXDUWGJKUOCC-INIZCTEOSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484748639 1079776765 /nfs/dbraw/zinc/77/67/65/1079776765.db2.gz WTEXPBZQGJJIMC-MRXNPFEDSA-N 2 2 318.465 2.192 20 30 DEEDLP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484748639 1079776768 /nfs/dbraw/zinc/77/67/68/1079776768.db2.gz WTEXPBZQGJJIMC-MRXNPFEDSA-N 2 2 318.465 2.192 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001268045051 1079930077 /nfs/dbraw/zinc/93/00/77/1079930077.db2.gz GRANQRSWVDPUCN-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001656309797 1080077362 /nfs/dbraw/zinc/07/73/62/1080077362.db2.gz UDPSQJLYDTZJQM-GOEBONIOSA-N 2 2 317.433 2.083 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001656370144 1080081467 /nfs/dbraw/zinc/08/14/67/1080081467.db2.gz WNMDUBFYPGXBJJ-HRCADAONSA-N 2 2 318.465 2.192 20 30 DEEDLP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001657067268 1080152278 /nfs/dbraw/zinc/15/22/78/1080152278.db2.gz OAAKHOALXALTRH-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001657067268 1080152283 /nfs/dbraw/zinc/15/22/83/1080152283.db2.gz OAAKHOALXALTRH-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001268168391 1080154378 /nfs/dbraw/zinc/15/43/78/1080154378.db2.gz XTBNAIAZTBZZBD-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C#CCC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(C)C ZINC001485439661 1080208597 /nfs/dbraw/zinc/20/85/97/1080208597.db2.gz IUMSUQZKOWSFBZ-HNNXBMFYSA-N 2 2 318.465 2.173 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001485657720 1080359457 /nfs/dbraw/zinc/35/94/57/1080359457.db2.gz NASGZRTYKYZDMY-ULQDDVLXSA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001485657720 1080359471 /nfs/dbraw/zinc/35/94/71/1080359471.db2.gz NASGZRTYKYZDMY-ULQDDVLXSA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657719 1080359605 /nfs/dbraw/zinc/35/96/05/1080359605.db2.gz NASGZRTYKYZDMY-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657719 1080359609 /nfs/dbraw/zinc/35/96/09/1080359609.db2.gz NASGZRTYKYZDMY-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001661235293 1080460220 /nfs/dbraw/zinc/46/02/20/1080460220.db2.gz HHDRPHLXDVCPIG-INIZCTEOSA-N 2 2 318.465 2.099 20 30 DEEDLP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001661235293 1080460223 /nfs/dbraw/zinc/46/02/23/1080460223.db2.gz HHDRPHLXDVCPIG-INIZCTEOSA-N 2 2 318.465 2.099 20 30 DEEDLP C=CCC[NH+]1CCC(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001482048716 1080744813 /nfs/dbraw/zinc/74/48/13/1080744813.db2.gz BGGCNYUTOBZKDR-OAHLLOKOSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[NH+]1CCC(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001482048716 1080744817 /nfs/dbraw/zinc/74/48/17/1080744817.db2.gz BGGCNYUTOBZKDR-OAHLLOKOSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268730708 1080956029 /nfs/dbraw/zinc/95/60/29/1080956029.db2.gz JOGNKFFCTYAACT-CYBMUJFWSA-N 2 2 300.406 2.269 20 30 DEEDLP C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268730708 1080956034 /nfs/dbraw/zinc/95/60/34/1080956034.db2.gz JOGNKFFCTYAACT-CYBMUJFWSA-N 2 2 300.406 2.269 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001268766718 1080975559 /nfs/dbraw/zinc/97/55/59/1080975559.db2.gz ZITMJJZYBVKVHB-HOTGVXAUSA-N 2 2 324.428 2.236 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665664428 1081058701 /nfs/dbraw/zinc/05/87/01/1081058701.db2.gz LZWPFZXUIYGRKU-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665664428 1081058710 /nfs/dbraw/zinc/05/87/10/1081058710.db2.gz LZWPFZXUIYGRKU-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C#CC[NH+]1CCC(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001666370528 1081149047 /nfs/dbraw/zinc/14/90/47/1081149047.db2.gz DQEJAHADDBFKNC-UHFFFAOYSA-N 2 2 313.445 2.472 20 30 DEEDLP C=CC[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001666383181 1081150031 /nfs/dbraw/zinc/15/00/31/1081150031.db2.gz WCOARVUFNLWAJU-HNNXBMFYSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001269678226 1081330934 /nfs/dbraw/zinc/33/09/34/1081330934.db2.gz ZYAWCTUSZQLPMM-WBVHZDCISA-N 2 2 304.438 2.114 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000950615105 1081377979 /nfs/dbraw/zinc/37/79/79/1081377979.db2.gz MEOMHDCLJLHKAX-WBVHZDCISA-N 2 2 305.466 2.112 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000950615105 1081377986 /nfs/dbraw/zinc/37/79/86/1081377986.db2.gz MEOMHDCLJLHKAX-WBVHZDCISA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001673601207 1081785133 /nfs/dbraw/zinc/78/51/33/1081785133.db2.gz FWOQPQNDCDJNFM-UHFFFAOYSA-N 2 2 317.433 2.180 20 30 DEEDLP CCCCCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001673918303 1081813292 /nfs/dbraw/zinc/81/32/92/1081813292.db2.gz VRVWSSFMOJMDDW-WBVHZDCISA-N 2 2 320.481 2.370 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001482433636 1081822594 /nfs/dbraw/zinc/82/25/94/1081822594.db2.gz LEQVBTXXFVUEBG-DOTOQJQBSA-N 2 2 318.465 2.146 20 30 DEEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001271645173 1082099572 /nfs/dbraw/zinc/09/95/72/1082099572.db2.gz MIRNJICTKARNRF-HUUCEWRRSA-N 2 2 324.428 2.417 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001266820202 1082369298 /nfs/dbraw/zinc/36/92/98/1082369298.db2.gz JZGAVQCQPDOVLL-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561490 1083481292 /nfs/dbraw/zinc/48/12/92/1083481292.db2.gz MLYPPNCXKMGLMH-SJLPKXTDSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561490 1083481297 /nfs/dbraw/zinc/48/12/97/1083481297.db2.gz MLYPPNCXKMGLMH-SJLPKXTDSA-N 2 2 316.449 2.279 20 30 DEEDLP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277228396 1083856718 /nfs/dbraw/zinc/85/67/18/1083856718.db2.gz UXOWHDUOFLXEPG-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001491300392 1084221576 /nfs/dbraw/zinc/22/15/76/1084221576.db2.gz NGDHMWZQYMREPT-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001491300392 1084221581 /nfs/dbraw/zinc/22/15/81/1084221581.db2.gz NGDHMWZQYMREPT-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP COCCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001235808561 1084535691 /nfs/dbraw/zinc/53/56/91/1084535691.db2.gz VCVDGVUYFSBVOJ-GOSISDBHSA-N 2 2 301.434 2.457 20 30 DEEDLP COCCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001235808561 1084535703 /nfs/dbraw/zinc/53/57/03/1084535703.db2.gz VCVDGVUYFSBVOJ-GOSISDBHSA-N 2 2 301.434 2.457 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366076 1086427761 /nfs/dbraw/zinc/42/77/61/1086427761.db2.gz JEEWSJYUBOVHFO-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366076 1086427765 /nfs/dbraw/zinc/42/77/65/1086427765.db2.gz JEEWSJYUBOVHFO-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001273475095 1091868320 /nfs/dbraw/zinc/86/83/20/1091868320.db2.gz LNZWZZRMMVLBSN-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001273475095 1091868326 /nfs/dbraw/zinc/86/83/26/1091868326.db2.gz LNZWZZRMMVLBSN-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275975858 1092416350 /nfs/dbraw/zinc/41/63/50/1092416350.db2.gz PYDPQWVBHJFASQ-LJQANCHMSA-N 2 2 313.445 2.489 20 30 DEEDLP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275975858 1092416354 /nfs/dbraw/zinc/41/63/54/1092416354.db2.gz PYDPQWVBHJFASQ-LJQANCHMSA-N 2 2 313.445 2.489 20 30 DEEDLP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275975858 1092416356 /nfs/dbraw/zinc/41/63/56/1092416356.db2.gz PYDPQWVBHJFASQ-LJQANCHMSA-N 2 2 313.445 2.489 20 30 DEEDLP C#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275975858 1092416360 /nfs/dbraw/zinc/41/63/60/1092416360.db2.gz PYDPQWVBHJFASQ-LJQANCHMSA-N 2 2 313.445 2.489 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001489000535 1092878320 /nfs/dbraw/zinc/87/83/20/1092878320.db2.gz FLIUSNBXKWRERP-NVXWUHKLSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001489005181 1092886351 /nfs/dbraw/zinc/88/63/51/1092886351.db2.gz YHYUVZKLONRAQS-RHSMWYFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001318979088 1140484729 /nfs/dbraw/zinc/48/47/29/1140484729.db2.gz MIWWEJLWXBBTSM-JYJNAYRXSA-N 2 2 318.465 2.334 20 30 DEEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001319778870 1140712831 /nfs/dbraw/zinc/71/28/31/1140712831.db2.gz PWDTZYSNABZUHI-IRXDYDNUSA-N 2 2 316.449 2.218 20 30 DEEDLP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CCC[NH2+]C3)cc(C#N)c21 ZINC001246327588 1140884427 /nfs/dbraw/zinc/88/44/27/1140884427.db2.gz OSPHNZREUZVUDT-UGSOOPFHSA-N 2 2 324.428 2.446 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322156501 1141419207 /nfs/dbraw/zinc/41/92/07/1141419207.db2.gz KHCJAESOBIOXLV-CYBMUJFWSA-N 2 2 300.406 2.269 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322156501 1141419219 /nfs/dbraw/zinc/41/92/19/1141419219.db2.gz KHCJAESOBIOXLV-CYBMUJFWSA-N 2 2 300.406 2.269 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001323021084 1141802910 /nfs/dbraw/zinc/80/29/10/1141802910.db2.gz CQKCMXIXTBDAGJ-MRXNPFEDSA-N 2 2 318.465 2.377 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001278581028 1142239347 /nfs/dbraw/zinc/23/93/47/1142239347.db2.gz WUSHKQRAXUVITA-LSDHHAIUSA-N 2 2 312.417 2.399 20 30 DEEDLP CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252806102 1142818786 /nfs/dbraw/zinc/81/87/86/1142818786.db2.gz RLVUEAZHSVVWPB-SFHVURJKSA-N 2 2 301.434 2.273 20 30 DEEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001278973048 1143873282 /nfs/dbraw/zinc/87/32/82/1143873282.db2.gz OIVFHELAWMGQQZ-JKSUJKDBSA-N 2 2 318.465 2.224 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC001279034808 1143949328 /nfs/dbraw/zinc/94/93/28/1143949328.db2.gz OIVYTOYPEYRJNM-HNNXBMFYSA-N 2 2 306.454 2.360 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001264706964 1144599454 /nfs/dbraw/zinc/59/94/54/1144599454.db2.gz ZORLFQRHOXMARB-TUVASFSCSA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001264706964 1144599461 /nfs/dbraw/zinc/59/94/61/1144599461.db2.gz ZORLFQRHOXMARB-TUVASFSCSA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001264706964 1144599471 /nfs/dbraw/zinc/59/94/71/1144599471.db2.gz ZORLFQRHOXMARB-TUVASFSCSA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001264706964 1144599482 /nfs/dbraw/zinc/59/94/82/1144599482.db2.gz ZORLFQRHOXMARB-TUVASFSCSA-N 2 2 302.422 2.058 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001265329331 1144694317 /nfs/dbraw/zinc/69/43/17/1144694317.db2.gz DORHMNGYVYIJBK-INIZCTEOSA-N 2 2 316.449 2.210 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001265588231 1144715205 /nfs/dbraw/zinc/71/52/05/1144715205.db2.gz CEUWVYVXSXSKGR-MRXNPFEDSA-N 2 2 304.438 2.068 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001265588231 1144715208 /nfs/dbraw/zinc/71/52/08/1144715208.db2.gz CEUWVYVXSXSKGR-MRXNPFEDSA-N 2 2 304.438 2.068 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001366079616 1147044967 /nfs/dbraw/zinc/04/49/67/1147044967.db2.gz GUVGIHWHDUMYIS-OAHLLOKOSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001366079616 1147044971 /nfs/dbraw/zinc/04/49/71/1147044971.db2.gz GUVGIHWHDUMYIS-OAHLLOKOSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001492279557 1147198099 /nfs/dbraw/zinc/19/80/99/1147198099.db2.gz ICMCKSSSUITSNG-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001492279557 1147198102 /nfs/dbraw/zinc/19/81/02/1147198102.db2.gz ICMCKSSSUITSNG-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001492279557 1147198105 /nfs/dbraw/zinc/19/81/05/1147198105.db2.gz ICMCKSSSUITSNG-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001492279557 1147198108 /nfs/dbraw/zinc/19/81/08/1147198108.db2.gz ICMCKSSSUITSNG-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001366663559 1147456985 /nfs/dbraw/zinc/45/69/85/1147456985.db2.gz ASWGTPGDXLXPBU-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001366663559 1147456990 /nfs/dbraw/zinc/45/69/90/1147456990.db2.gz ASWGTPGDXLXPBU-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317149577 1147666945 /nfs/dbraw/zinc/66/69/45/1147666945.db2.gz JQDIAAUPPJMXSY-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317149577 1147666946 /nfs/dbraw/zinc/66/69/46/1147666946.db2.gz JQDIAAUPPJMXSY-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317188049 1147673463 /nfs/dbraw/zinc/67/34/63/1147673463.db2.gz GTEWDIBZBAPPOV-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317341616 1147693078 /nfs/dbraw/zinc/69/30/78/1147693078.db2.gz BAPHRKKAPHZHGC-CQSZACIVSA-N 2 2 304.438 2.092 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317367576 1147697175 /nfs/dbraw/zinc/69/71/75/1147697175.db2.gz XYZMDZRRFTXAFX-CVEARBPZSA-N 2 2 304.438 2.256 20 30 DEEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317374852 1147698582 /nfs/dbraw/zinc/69/85/82/1147698582.db2.gz GHBCOYAJABICFR-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317374852 1147698583 /nfs/dbraw/zinc/69/85/83/1147698583.db2.gz GHBCOYAJABICFR-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805103 1147754141 /nfs/dbraw/zinc/75/41/41/1147754141.db2.gz ILICHTRKQWAMJK-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805103 1147754143 /nfs/dbraw/zinc/75/41/43/1147754143.db2.gz ILICHTRKQWAMJK-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324798838 1147846302 /nfs/dbraw/zinc/84/63/02/1147846302.db2.gz PUVYKRVVASQNFI-WBVHZDCISA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974967 354933969 /nfs/dbraw/zinc/93/39/69/354933969.db2.gz NQOVRBGXCPBSIC-ULQDDVLXSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974967 354933971 /nfs/dbraw/zinc/93/39/71/354933971.db2.gz NQOVRBGXCPBSIC-ULQDDVLXSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072974967 354933972 /nfs/dbraw/zinc/93/39/72/354933972.db2.gz NQOVRBGXCPBSIC-ULQDDVLXSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072974967 354933974 /nfs/dbraw/zinc/93/39/74/354933974.db2.gz NQOVRBGXCPBSIC-ULQDDVLXSA-N 2 2 307.482 2.264 20 30 DEEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593687596 358123222 /nfs/dbraw/zinc/12/32/22/358123222.db2.gz JXNWWYMRKOAKAU-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000594521523 358289041 /nfs/dbraw/zinc/28/90/41/358289041.db2.gz SHFXUTKXERLWHN-INIZCTEOSA-N 2 2 303.381 2.040 20 30 DEEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H]1O ZINC000187677963 200142966 /nfs/dbraw/zinc/14/29/66/200142966.db2.gz AMWGMEPFXGYHCS-MSOLQXFVSA-N 2 2 313.445 2.272 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281185907 216137620 /nfs/dbraw/zinc/13/76/20/216137620.db2.gz BFTLFLCBAOONMX-OAHLLOKOSA-N 2 2 314.433 2.303 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281185907 216137622 /nfs/dbraw/zinc/13/76/22/216137622.db2.gz BFTLFLCBAOONMX-OAHLLOKOSA-N 2 2 314.433 2.303 20 30 DEEDLP C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602462640 360385600 /nfs/dbraw/zinc/38/56/00/360385600.db2.gz NTRJQPUQPHXKDU-INIZCTEOSA-N 2 2 317.433 2.132 20 30 DEEDLP C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602462640 360385606 /nfs/dbraw/zinc/38/56/06/360385606.db2.gz NTRJQPUQPHXKDU-INIZCTEOSA-N 2 2 317.433 2.132 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257818 361293343 /nfs/dbraw/zinc/29/33/43/361293343.db2.gz GKRLWBDNAKFQRT-INIZCTEOSA-N 2 2 309.373 2.030 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257818 361293344 /nfs/dbraw/zinc/29/33/44/361293344.db2.gz GKRLWBDNAKFQRT-INIZCTEOSA-N 2 2 309.373 2.030 20 30 DEEDLP C=C[C@@H](C(=O)OC)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000619718229 363864968 /nfs/dbraw/zinc/86/49/68/363864968.db2.gz FGTKJFBUABVRIT-INIZCTEOSA-N 2 2 317.433 2.348 20 30 DEEDLP C=C[C@@H](C(=O)OC)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000619718229 363864971 /nfs/dbraw/zinc/86/49/71/363864971.db2.gz FGTKJFBUABVRIT-INIZCTEOSA-N 2 2 317.433 2.348 20 30 DEEDLP C=CCc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc(OC)c1O ZINC000622004921 364629806 /nfs/dbraw/zinc/62/98/06/364629806.db2.gz WIWPRJDBBUASQY-MAUKXSAKSA-N 2 2 302.418 2.443 20 30 DEEDLP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc(OC)c1O ZINC000622004921 364629812 /nfs/dbraw/zinc/62/98/12/364629812.db2.gz WIWPRJDBBUASQY-MAUKXSAKSA-N 2 2 302.418 2.443 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796660 194286668 /nfs/dbraw/zinc/28/66/68/194286668.db2.gz OVIJCZUXFAJHHI-UHFFFAOYSA-N 2 2 315.402 2.092 20 30 DEEDLP COCC[N@@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000331353319 532962821 /nfs/dbraw/zinc/96/28/21/532962821.db2.gz ZZKDDBYTUXAKCB-CQSZACIVSA-N 2 2 320.437 2.205 20 30 DEEDLP COCC[N@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000331353319 532962828 /nfs/dbraw/zinc/96/28/28/532962828.db2.gz ZZKDDBYTUXAKCB-CQSZACIVSA-N 2 2 320.437 2.205 20 30 DEEDLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692935 221158292 /nfs/dbraw/zinc/15/82/92/221158292.db2.gz DXZNZMFOIOLVCX-RDTXWAMCSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692935 221158294 /nfs/dbraw/zinc/15/82/94/221158294.db2.gz DXZNZMFOIOLVCX-RDTXWAMCSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692935 221158295 /nfs/dbraw/zinc/15/82/95/221158295.db2.gz DXZNZMFOIOLVCX-RDTXWAMCSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692935 221158296 /nfs/dbraw/zinc/15/82/96/221158296.db2.gz DXZNZMFOIOLVCX-RDTXWAMCSA-N 2 2 301.434 2.396 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1F ZINC000374427063 148245766 /nfs/dbraw/zinc/24/57/66/148245766.db2.gz HAHCVRUQYTWUAA-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1F ZINC000374427063 148245770 /nfs/dbraw/zinc/24/57/70/148245770.db2.gz HAHCVRUQYTWUAA-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OCCCC#N ZINC000064613546 402120329 /nfs/dbraw/zinc/12/03/29/402120329.db2.gz FENODGRKDYUVNB-UHFFFAOYSA-N 2 2 314.389 2.364 20 30 DEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@H]1C ZINC000262837795 402734879 /nfs/dbraw/zinc/73/48/79/402734879.db2.gz SYQCYXUFANVZFY-OCCSQVGLSA-N 2 2 306.479 2.070 20 30 DEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1C[C@H]1C ZINC000262837795 402734882 /nfs/dbraw/zinc/73/48/82/402734882.db2.gz SYQCYXUFANVZFY-OCCSQVGLSA-N 2 2 306.479 2.070 20 30 DEEDLP CN(C)C(=[NH2+])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000264101911 402839633 /nfs/dbraw/zinc/83/96/33/402839633.db2.gz ONJTUYDCBYVJCM-CYBMUJFWSA-N 2 2 312.820 2.492 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000267041347 403010622 /nfs/dbraw/zinc/01/06/22/403010622.db2.gz DFKYVPZBDZYJFH-IAGOWNOFSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000267041347 403010623 /nfs/dbraw/zinc/01/06/23/403010623.db2.gz DFKYVPZBDZYJFH-IAGOWNOFSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000267041347 403010624 /nfs/dbraw/zinc/01/06/24/403010624.db2.gz DFKYVPZBDZYJFH-IAGOWNOFSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000267041347 403010625 /nfs/dbraw/zinc/01/06/25/403010625.db2.gz DFKYVPZBDZYJFH-IAGOWNOFSA-N 2 2 307.482 2.239 20 30 DEEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000270672794 403211102 /nfs/dbraw/zinc/21/11/02/403211102.db2.gz SMSRWRHTDMVFIG-UHFFFAOYSA-N 2 2 323.444 2.271 20 30 DEEDLP C=C(C)CNC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277178913 403197705 /nfs/dbraw/zinc/19/77/05/403197705.db2.gz CJYPPVHKCXZGKK-MRXNPFEDSA-N 2 2 318.490 2.084 20 30 DEEDLP C=C(C)CNC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277178913 403197708 /nfs/dbraw/zinc/19/77/08/403197708.db2.gz CJYPPVHKCXZGKK-MRXNPFEDSA-N 2 2 318.490 2.084 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286334496 403502053 /nfs/dbraw/zinc/50/20/53/403502053.db2.gz YBTBAPBJAGFWMD-CYBMUJFWSA-N 2 2 315.417 2.319 20 30 DEEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000329760218 404444189 /nfs/dbraw/zinc/44/41/89/404444189.db2.gz PWXLTYOTAPHKRZ-UHFFFAOYSA-N 3 2 319.453 2.030 20 30 DEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404031 404648592 /nfs/dbraw/zinc/64/85/92/404648592.db2.gz OETBXCDOZXSKMX-JKSUJKDBSA-N 2 2 320.481 2.134 20 30 DEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404031 404648598 /nfs/dbraw/zinc/64/85/98/404648598.db2.gz OETBXCDOZXSKMX-JKSUJKDBSA-N 2 2 320.481 2.134 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000424774206 405173802 /nfs/dbraw/zinc/17/38/02/405173802.db2.gz ZHASDSQATDTZGS-HNNXBMFYSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000424774206 405173810 /nfs/dbraw/zinc/17/38/10/405173810.db2.gz ZHASDSQATDTZGS-HNNXBMFYSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419714711 405263535 /nfs/dbraw/zinc/26/35/35/405263535.db2.gz OLFVMIZVAQHUNE-UHFFFAOYSA-N 2 2 300.406 2.341 20 30 DEEDLP C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398759 407273664 /nfs/dbraw/zinc/27/36/64/407273664.db2.gz LDOGTOFMAPXIMY-MRXNPFEDSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398759 407273666 /nfs/dbraw/zinc/27/36/66/407273666.db2.gz LDOGTOFMAPXIMY-MRXNPFEDSA-N 2 2 307.482 2.216 20 30 DEEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC1CCCCC1 ZINC000261983156 225260429 /nfs/dbraw/zinc/26/04/29/225260429.db2.gz IVCQCJSIYNJIEO-UHFFFAOYSA-N 2 2 312.421 2.313 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000651759506 425145997 /nfs/dbraw/zinc/14/59/97/425145997.db2.gz RYFSGBXXTZKIGY-OAGGEKHMSA-N 2 2 316.449 2.246 20 30 DEEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838771 277103183 /nfs/dbraw/zinc/10/31/83/277103183.db2.gz DYJHSDIKHQOOSH-MJGOQNOKSA-N 2 2 312.461 2.161 20 30 DEEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838771 277103185 /nfs/dbraw/zinc/10/31/85/277103185.db2.gz DYJHSDIKHQOOSH-MJGOQNOKSA-N 2 2 312.461 2.161 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000532515305 336253084 /nfs/dbraw/zinc/25/30/84/336253084.db2.gz NIMDAOVRRYRKLW-UHFFFAOYSA-N 2 2 306.372 2.462 20 30 DEEDLP C=CCC(C)(C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000458815797 339006368 /nfs/dbraw/zinc/00/63/68/339006368.db2.gz YVYQGQHOJZELBP-UHFFFAOYSA-N 2 2 324.513 2.256 20 30 DEEDLP C=CCC(C)(C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458815797 339006369 /nfs/dbraw/zinc/00/63/69/339006369.db2.gz YVYQGQHOJZELBP-UHFFFAOYSA-N 2 2 324.513 2.256 20 30 DEEDLP COC1CC[NH+](C2(C[NH2+]C[C@@H](C#N)CCC#N)CCCC2)CC1 ZINC000548786991 341275598 /nfs/dbraw/zinc/27/55/98/341275598.db2.gz QLWFHAJGIHKXCU-MRXNPFEDSA-N 2 2 318.465 2.443 20 30 DEEDLP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000261689483 534299432 /nfs/dbraw/zinc/29/94/32/534299432.db2.gz AZCIFAMMIQHINH-GFCCVEGCSA-N 2 2 306.479 2.342 20 30 DEEDLP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000261689483 534299434 /nfs/dbraw/zinc/29/94/34/534299434.db2.gz AZCIFAMMIQHINH-GFCCVEGCSA-N 2 2 306.479 2.342 20 30 DEEDLP C[NH+]=C(NCC(C)(C)SC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262026524 526349084 /nfs/dbraw/zinc/34/90/84/526349084.db2.gz ZUVNFTWTQROQQT-KGLIPLIRSA-N 2 2 323.510 2.483 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246535423 526524100 /nfs/dbraw/zinc/52/41/00/526524100.db2.gz JOMWOCZONGBPFD-WMZOPIPTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246535423 526524105 /nfs/dbraw/zinc/52/41/05/526524105.db2.gz JOMWOCZONGBPFD-WMZOPIPTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246535423 526524109 /nfs/dbraw/zinc/52/41/09/526524109.db2.gz JOMWOCZONGBPFD-WMZOPIPTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246535423 526524112 /nfs/dbraw/zinc/52/41/12/526524112.db2.gz JOMWOCZONGBPFD-WMZOPIPTSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCOCC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000339103314 526766645 /nfs/dbraw/zinc/76/66/45/526766645.db2.gz PGLBKHSYPWDUGM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000339103314 526766649 /nfs/dbraw/zinc/76/66/49/526766649.db2.gz PGLBKHSYPWDUGM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000339103314 526766657 /nfs/dbraw/zinc/76/66/57/526766657.db2.gz PGLBKHSYPWDUGM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000339103314 526766663 /nfs/dbraw/zinc/76/66/63/526766663.db2.gz PGLBKHSYPWDUGM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000365644661 527467572 /nfs/dbraw/zinc/46/75/72/527467572.db2.gz XXMHVIWUGQDQQS-IRXDYDNUSA-N 2 2 310.401 2.205 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000365644661 527467574 /nfs/dbraw/zinc/46/75/74/527467574.db2.gz XXMHVIWUGQDQQS-IRXDYDNUSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372571943 527488221 /nfs/dbraw/zinc/48/82/21/527488221.db2.gz ISDXRNNBUSGKQF-BZSNNMDCSA-N 2 2 303.450 2.333 20 30 DEEDLP C=CCC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372571943 527488226 /nfs/dbraw/zinc/48/82/26/527488226.db2.gz ISDXRNNBUSGKQF-BZSNNMDCSA-N 2 2 303.450 2.333 20 30 DEEDLP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372571943 527488234 /nfs/dbraw/zinc/48/82/34/527488234.db2.gz ISDXRNNBUSGKQF-BZSNNMDCSA-N 2 2 303.450 2.333 20 30 DEEDLP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372571943 527488236 /nfs/dbraw/zinc/48/82/36/527488236.db2.gz ISDXRNNBUSGKQF-BZSNNMDCSA-N 2 2 303.450 2.333 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487347 625295088 /nfs/dbraw/zinc/29/50/88/625295088.db2.gz GANXTUDNNSJATP-OAHLLOKOSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487347 625295090 /nfs/dbraw/zinc/29/50/90/625295090.db2.gz GANXTUDNNSJATP-OAHLLOKOSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025483471 625476386 /nfs/dbraw/zinc/47/63/86/625476386.db2.gz ZOCJEVTYTVEYNL-HUUCEWRRSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025483471 625476387 /nfs/dbraw/zinc/47/63/87/625476387.db2.gz ZOCJEVTYTVEYNL-HUUCEWRRSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575684 623780133 /nfs/dbraw/zinc/78/01/33/623780133.db2.gz MFLWPTIQIHIMMQ-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575684 623780135 /nfs/dbraw/zinc/78/01/35/623780135.db2.gz MFLWPTIQIHIMMQ-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996522136 633276895 /nfs/dbraw/zinc/27/68/95/633276895.db2.gz YCSGJGAKRIBEMW-ZDUSSCGKSA-N 2 2 324.856 2.266 20 30 DEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997754034 633964098 /nfs/dbraw/zinc/96/40/98/633964098.db2.gz XMBTYKQSJSHWKT-DZGCQCFKSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978158559 634230034 /nfs/dbraw/zinc/23/00/34/634230034.db2.gz KHYYZULOUMIMMT-OSYLJGHBSA-N 2 2 324.428 2.126 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978158559 634230036 /nfs/dbraw/zinc/23/00/36/634230036.db2.gz KHYYZULOUMIMMT-OSYLJGHBSA-N 2 2 324.428 2.126 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609986 634279496 /nfs/dbraw/zinc/27/94/96/634279496.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609986 634279501 /nfs/dbraw/zinc/27/95/01/634279501.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027609986 634279505 /nfs/dbraw/zinc/27/95/05/634279505.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027609986 634279508 /nfs/dbraw/zinc/27/95/08/634279508.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 2 304.438 2.087 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054104 635383241 /nfs/dbraw/zinc/38/32/41/635383241.db2.gz RFLXGYCZTHTFEB-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054104 635383247 /nfs/dbraw/zinc/38/32/47/635383247.db2.gz RFLXGYCZTHTFEB-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[NH+]1CCC(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001001663512 635538690 /nfs/dbraw/zinc/53/86/90/635538690.db2.gz KLKFKQOPXFNQPB-UHFFFAOYSA-N 2 2 313.445 2.472 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004575212 636490074 /nfs/dbraw/zinc/49/00/74/636490074.db2.gz BAEKESVPISBZQB-KRWDZBQOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004575212 636490076 /nfs/dbraw/zinc/49/00/76/636490076.db2.gz BAEKESVPISBZQB-KRWDZBQOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(CC)[nH]2)CC1 ZINC000894228520 636507682 /nfs/dbraw/zinc/50/76/82/636507682.db2.gz FGEHXUYMRSAQDB-UHFFFAOYSA-N 2 2 319.449 2.494 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675608 636560386 /nfs/dbraw/zinc/56/03/86/636560386.db2.gz ZKXZHMDCHQPVEI-IYBDPMFKSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675608 636560394 /nfs/dbraw/zinc/56/03/94/636560394.db2.gz ZKXZHMDCHQPVEI-IYBDPMFKSA-N 2 2 324.428 2.304 20 30 DEEDLP C[C@@H](C#N)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894452937 637046825 /nfs/dbraw/zinc/04/68/25/637046825.db2.gz ONECINIHNJZJQS-JTQLQIEISA-N 2 2 311.332 2.319 20 30 DEEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746650992 638365817 /nfs/dbraw/zinc/36/58/17/638365817.db2.gz GROQLHSHXDEEIW-GOSISDBHSA-N 2 2 301.434 2.225 20 30 DEEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746650992 638365821 /nfs/dbraw/zinc/36/58/21/638365821.db2.gz GROQLHSHXDEEIW-GOSISDBHSA-N 2 2 301.434 2.225 20 30 DEEDLP C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896989829 639116782 /nfs/dbraw/zinc/11/67/82/639116782.db2.gz WUBXYCROKSXWLO-GOSISDBHSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896989829 639116785 /nfs/dbraw/zinc/11/67/85/639116785.db2.gz WUBXYCROKSXWLO-GOSISDBHSA-N 2 2 319.493 2.360 20 30 DEEDLP N#Cc1ccc(C2=CC[N@H+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000767732037 641015816 /nfs/dbraw/zinc/01/58/16/641015816.db2.gz MZZPTGCNASAKFP-LJQANCHMSA-N 2 2 311.429 2.104 20 30 DEEDLP N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000767732037 641015819 /nfs/dbraw/zinc/01/58/19/641015819.db2.gz MZZPTGCNASAKFP-LJQANCHMSA-N 2 2 311.429 2.104 20 30 DEEDLP C#CC[N@@H+](Cc1cc(OC)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902541306 643060755 /nfs/dbraw/zinc/06/07/55/643060755.db2.gz YWXBLJYDULMAHA-UHFFFAOYSA-N 2 2 302.418 2.239 20 30 DEEDLP C#CC[N@H+](Cc1cc(OC)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902541306 643060760 /nfs/dbraw/zinc/06/07/60/643060760.db2.gz YWXBLJYDULMAHA-UHFFFAOYSA-N 2 2 302.418 2.239 20 30 DEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902972876 643215595 /nfs/dbraw/zinc/21/55/95/643215595.db2.gz KHYZDTGTQLSUMU-CABCVRRESA-N 2 2 302.422 2.105 20 30 DEEDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902972876 643215600 /nfs/dbraw/zinc/21/56/00/643215600.db2.gz KHYZDTGTQLSUMU-CABCVRRESA-N 2 2 302.422 2.105 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809623197 646249955 /nfs/dbraw/zinc/24/99/55/646249955.db2.gz RAMHZKYXLZGTGR-NRFANRHFSA-N 2 2 320.436 2.395 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809623197 646249958 /nfs/dbraw/zinc/24/99/58/646249958.db2.gz RAMHZKYXLZGTGR-NRFANRHFSA-N 2 2 320.436 2.395 20 30 DEEDLP C[C@H]1C(=NN2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000814685751 646920339 /nfs/dbraw/zinc/92/03/39/646920339.db2.gz PAFCOVORRLMUNH-INIZCTEOSA-N 2 2 300.450 2.274 20 30 DEEDLP C[C@H]1C(=NN2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814685751 646920342 /nfs/dbraw/zinc/92/03/42/646920342.db2.gz PAFCOVORRLMUNH-INIZCTEOSA-N 2 2 300.450 2.274 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000992778509 647242795 /nfs/dbraw/zinc/24/27/95/647242795.db2.gz FBDLQEROGAKYFM-IXDOHACOSA-N 2 2 316.449 2.066 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000992875888 647311679 /nfs/dbraw/zinc/31/16/79/647311679.db2.gz UEYNQVKTVKNZJI-BZUAXINKSA-N 2 2 316.449 2.053 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000819338711 647639518 /nfs/dbraw/zinc/63/95/18/647639518.db2.gz AEXWGSLTNIQTGQ-FQEVSTJZSA-N 2 2 308.425 2.250 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000819338711 647639521 /nfs/dbraw/zinc/63/95/21/647639521.db2.gz AEXWGSLTNIQTGQ-FQEVSTJZSA-N 2 2 308.425 2.250 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993494720 647680262 /nfs/dbraw/zinc/68/02/62/647680262.db2.gz QTRVOVHWYOQJCG-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993494720 647680263 /nfs/dbraw/zinc/68/02/63/647680263.db2.gz QTRVOVHWYOQJCG-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838153 648953776 /nfs/dbraw/zinc/95/37/76/648953776.db2.gz FLVPHYVDVNZYBU-MRXNPFEDSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838153 648953777 /nfs/dbraw/zinc/95/37/77/648953777.db2.gz FLVPHYVDVNZYBU-MRXNPFEDSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000733323223 649542749 /nfs/dbraw/zinc/54/27/49/649542749.db2.gz QQLGKWATJHEMGR-LJQANCHMSA-N 2 2 316.445 2.145 20 30 DEEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000733323223 649542752 /nfs/dbraw/zinc/54/27/52/649542752.db2.gz QQLGKWATJHEMGR-LJQANCHMSA-N 2 2 316.445 2.145 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000849041128 651592695 /nfs/dbraw/zinc/59/26/95/651592695.db2.gz LAKBNDDTERMAMW-UHFFFAOYSA-N 2 2 323.400 2.390 20 30 DEEDLP Oc1cccc(/C=[NH+]/CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000849169274 651615381 /nfs/dbraw/zinc/61/53/81/651615381.db2.gz DLYJHWRIFRLOLJ-CPNJWEJPSA-N 2 2 318.417 2.408 20 30 DEEDLP C=CC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000852862368 652472234 /nfs/dbraw/zinc/47/22/34/652472234.db2.gz BPHZLMQRYPAYIR-GOSISDBHSA-N 2 2 310.401 2.187 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001372359867 1156373954 /nfs/dbraw/zinc/37/39/54/1156373954.db2.gz OQTFVMDMIGQTJS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001372359867 1156373958 /nfs/dbraw/zinc/37/39/58/1156373958.db2.gz OQTFVMDMIGQTJS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001372359867 1156373961 /nfs/dbraw/zinc/37/39/61/1156373961.db2.gz OQTFVMDMIGQTJS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001372359867 1156373966 /nfs/dbraw/zinc/37/39/66/1156373966.db2.gz OQTFVMDMIGQTJS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001393877202 1158037922 /nfs/dbraw/zinc/03/79/22/1158037922.db2.gz NIXBGINTHKLJHY-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001393877202 1158037930 /nfs/dbraw/zinc/03/79/30/1158037930.db2.gz NIXBGINTHKLJHY-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001393877202 1158037937 /nfs/dbraw/zinc/03/79/37/1158037937.db2.gz NIXBGINTHKLJHY-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001393877202 1158037945 /nfs/dbraw/zinc/03/79/45/1158037945.db2.gz NIXBGINTHKLJHY-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP COc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C)cc1OC ZINC000303784533 685235436 /nfs/dbraw/zinc/23/54/36/685235436.db2.gz PFQXZMQVNVJICJ-ZDUSSCGKSA-N 2 2 322.453 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ZINC001034678906 689924962 /nfs/dbraw/zinc/92/49/62/689924962.db2.gz RJWGTDYPGLPLGN-JYJNAYRXSA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035843937 690191423 /nfs/dbraw/zinc/19/14/23/690191423.db2.gz HNQUKNIEWXBPOQ-UHFFFAOYSA-N 2 2 316.449 2.151 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036104067 690261325 /nfs/dbraw/zinc/26/13/25/690261325.db2.gz GASHFYLGGRQDQB-CABCVRRESA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036772409 690468844 /nfs/dbraw/zinc/46/88/44/690468844.db2.gz WZLHVYIIUOUWRJ-HZPDHXFCSA-N 2 2 324.428 2.447 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036772409 690468845 /nfs/dbraw/zinc/46/88/45/690468845.db2.gz WZLHVYIIUOUWRJ-HZPDHXFCSA-N 2 2 324.428 2.447 20 30 DEEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039301573 691077524 /nfs/dbraw/zinc/07/75/24/691077524.db2.gz KZRIOPUTGVMHAR-VHRNVKJDSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001040773538 691286090 /nfs/dbraw/zinc/28/60/90/691286090.db2.gz XBSYLGQBUURYBT-UHFFFAOYSA-N 2 2 324.428 2.448 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001040792632 691288054 /nfs/dbraw/zinc/28/80/54/691288054.db2.gz JMVOVFCKHZQAPM-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOC(F)(F)F)cc1 ZINC000882981804 691403155 /nfs/dbraw/zinc/40/31/55/691403155.db2.gz URKMQKFXWDLNHZ-UHFFFAOYSA-N 2 2 319.327 2.312 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314246 692149387 /nfs/dbraw/zinc/14/93/87/692149387.db2.gz ABWKSMHAUQZLLB-HOCLYGCPSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314246 692149390 /nfs/dbraw/zinc/14/93/90/692149390.db2.gz ABWKSMHAUQZLLB-HOCLYGCPSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046314246 692149394 /nfs/dbraw/zinc/14/93/94/692149394.db2.gz ABWKSMHAUQZLLB-HOCLYGCPSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089559 692760241 /nfs/dbraw/zinc/76/02/41/692760241.db2.gz SJFUMZJVEDHJJX-YESZJQIVSA-N 2 2 316.449 2.191 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089559 692760243 /nfs/dbraw/zinc/76/02/43/692760243.db2.gz SJFUMZJVEDHJJX-YESZJQIVSA-N 2 2 316.449 2.191 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049780792 692998338 /nfs/dbraw/zinc/99/83/38/692998338.db2.gz IZQSDNSQFOFJBD-DJIMGWMZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049780792 692998341 /nfs/dbraw/zinc/99/83/41/692998341.db2.gz IZQSDNSQFOFJBD-DJIMGWMZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049780792 692998344 /nfs/dbraw/zinc/99/83/44/692998344.db2.gz IZQSDNSQFOFJBD-DJIMGWMZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049780792 692998348 /nfs/dbraw/zinc/99/83/48/692998348.db2.gz IZQSDNSQFOFJBD-DJIMGWMZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049783866 693000270 /nfs/dbraw/zinc/00/02/70/693000270.db2.gz VMHZPPCDJHGXRC-BHYGNILZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049783866 693000273 /nfs/dbraw/zinc/00/02/73/693000273.db2.gz VMHZPPCDJHGXRC-BHYGNILZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049783866 693000276 /nfs/dbraw/zinc/00/02/76/693000276.db2.gz VMHZPPCDJHGXRC-BHYGNILZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049783866 693000279 /nfs/dbraw/zinc/00/02/79/693000279.db2.gz VMHZPPCDJHGXRC-BHYGNILZSA-N 2 2 316.449 2.230 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381445 693519907 /nfs/dbraw/zinc/51/99/07/693519907.db2.gz RCNCJQYKVLDFMB-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381445 693519909 /nfs/dbraw/zinc/51/99/09/693519909.db2.gz RCNCJQYKVLDFMB-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699846 693598337 /nfs/dbraw/zinc/59/83/37/693598337.db2.gz CVHIVVLMPDGECX-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699846 693598341 /nfs/dbraw/zinc/59/83/41/693598341.db2.gz CVHIVVLMPDGECX-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053043270 693675975 /nfs/dbraw/zinc/67/59/75/693675975.db2.gz GLWNBTCNLCBNDA-HOTGVXAUSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053043270 693675978 /nfs/dbraw/zinc/67/59/78/693675978.db2.gz GLWNBTCNLCBNDA-HOTGVXAUSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001371640122 1155890968 /nfs/dbraw/zinc/89/09/68/1155890968.db2.gz SRRYSDBCDMYQEK-ZIAGYGMSSA-N 2 2 324.856 2.122 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001394248502 1158394262 /nfs/dbraw/zinc/39/42/62/1158394262.db2.gz TVTWNQOOQACEPR-CYBMUJFWSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001417859891 1167266045 /nfs/dbraw/zinc/26/60/45/1167266045.db2.gz QRWGUGDJSRDIKX-HNNXBMFYSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001417859891 1167266052 /nfs/dbraw/zinc/26/60/52/1167266052.db2.gz QRWGUGDJSRDIKX-HNNXBMFYSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001417859891 1167266059 /nfs/dbraw/zinc/26/60/59/1167266059.db2.gz QRWGUGDJSRDIKX-HNNXBMFYSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001417859891 1167266067 /nfs/dbraw/zinc/26/60/67/1167266067.db2.gz QRWGUGDJSRDIKX-HNNXBMFYSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001417911641 1167301239 /nfs/dbraw/zinc/30/12/39/1167301239.db2.gz JPNHXPPKJHZNQD-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001417911641 1167301246 /nfs/dbraw/zinc/30/12/46/1167301246.db2.gz JPNHXPPKJHZNQD-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001417911641 1167301253 /nfs/dbraw/zinc/30/12/53/1167301253.db2.gz JPNHXPPKJHZNQD-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001417911641 1167301261 /nfs/dbraw/zinc/30/12/61/1167301261.db2.gz JPNHXPPKJHZNQD-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001419172455 1168287292 /nfs/dbraw/zinc/28/72/92/1168287292.db2.gz YCIAWCAULJESTF-UONOGXRCSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001419172455 1168287303 /nfs/dbraw/zinc/28/73/03/1168287303.db2.gz YCIAWCAULJESTF-UONOGXRCSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001423615009 1173449045 /nfs/dbraw/zinc/44/90/45/1173449045.db2.gz LGTPQAXIYKVQOG-CYBMUJFWSA-N 2 2 312.845 2.134 20 30 DEEDLP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001332731976 1149885878 /nfs/dbraw/zinc/88/58/78/1149885878.db2.gz FZIHBIYJDXHAKV-HZPDHXFCSA-N 2 2 318.465 2.269 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001332821919 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MKFIRIRKDCARSV-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001505448219 1060614863 /nfs/dbraw/zinc/61/48/63/1060614863.db2.gz MKFIRIRKDCARSV-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480481653 1062920360 /nfs/dbraw/zinc/92/03/60/1062920360.db2.gz WCHQBHFZZRTPBY-ZIAGYGMSSA-N 2 2 312.845 2.317 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001369199905 1148868053 /nfs/dbraw/zinc/86/80/53/1148868053.db2.gz QAWKOWDHJUZDRV-CYBMUJFWSA-N 2 2 312.845 2.134 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494029223 1064092428 /nfs/dbraw/zinc/09/24/28/1064092428.db2.gz MHEIJSPHNWQTQE-INIZCTEOSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494029223 1064092435 /nfs/dbraw/zinc/09/24/35/1064092435.db2.gz MHEIJSPHNWQTQE-INIZCTEOSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001494286886 1064200754 /nfs/dbraw/zinc/20/07/54/1064200754.db2.gz NXRNGRQLDJXPPK-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001494286886 1064200762 /nfs/dbraw/zinc/20/07/62/1064200762.db2.gz NXRNGRQLDJXPPK-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494901777 1064561467 /nfs/dbraw/zinc/56/14/67/1064561467.db2.gz WIYQMLYYPJWMIP-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494901777 1064561481 /nfs/dbraw/zinc/56/14/81/1064561481.db2.gz WIYQMLYYPJWMIP-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494901777 1064561486 /nfs/dbraw/zinc/56/14/86/1064561486.db2.gz WIYQMLYYPJWMIP-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494901777 1064561500 /nfs/dbraw/zinc/56/15/00/1064561500.db2.gz WIYQMLYYPJWMIP-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001494924465 1064579910 /nfs/dbraw/zinc/57/99/10/1064579910.db2.gz GTDHFYVBNZSMHX-JKSUJKDBSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001494924465 1064579920 /nfs/dbraw/zinc/57/99/20/1064579920.db2.gz GTDHFYVBNZSMHX-JKSUJKDBSA-N 2 2 304.438 2.161 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001568400270 1064839127 /nfs/dbraw/zinc/83/91/27/1064839127.db2.gz GMNMOOAHRFPNEW-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001568423165 1064859153 /nfs/dbraw/zinc/85/91/53/1064859153.db2.gz DCQIGYRXANEFNF-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001568423165 1064859163 /nfs/dbraw/zinc/85/91/63/1064859163.db2.gz DCQIGYRXANEFNF-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C(=O)OC ZINC001621478565 1078175345 /nfs/dbraw/zinc/17/53/45/1078175345.db2.gz CWDAUVVUHVEZSU-UPTPFMHGSA-N 2 2 324.465 2.117 20 30 DEEDLP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001569442893 1065510129 /nfs/dbraw/zinc/51/01/29/1065510129.db2.gz NHOCIUICYQHNFA-ALOPSCKCSA-N 2 2 316.449 2.351 20 30 DEEDLP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001496569590 1065568855 /nfs/dbraw/zinc/56/88/55/1065568855.db2.gz IJEHLVNXAAUJDE-OAHLLOKOSA-N 2 2 306.454 2.233 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001569843372 1065759696 /nfs/dbraw/zinc/75/96/96/1065759696.db2.gz OHCNDIMCDCLDHK-CABCVRRESA-N 2 2 312.417 2.208 20 30 DEEDLP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001570108901 1065928065 /nfs/dbraw/zinc/92/80/65/1065928065.db2.gz AXKQXQAPAPDHBP-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP N#Cc1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCC2)cc1Cl ZINC001580070367 1067489176 /nfs/dbraw/zinc/48/91/76/1067489176.db2.gz VYLCGIHUFCHOEI-OAHLLOKOSA-N 2 2 320.824 2.257 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001483615683 1078627915 /nfs/dbraw/zinc/62/79/15/1078627915.db2.gz AIDHFRSWYNPHQT-DLBZAZTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001571626596 1068447971 /nfs/dbraw/zinc/44/79/71/1068447971.db2.gz CNDOFLJYQLIFBN-LSDHHAIUSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001483742610 1078978713 /nfs/dbraw/zinc/97/87/13/1078978713.db2.gz UKSBZADZVKSGBY-CQSZACIVSA-N 2 2 324.856 2.461 20 30 DEEDLP CC(C)[C@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001646531864 1074473189 /nfs/dbraw/zinc/47/31/89/1074473189.db2.gz APMOKIBCSFKZNM-INIZCTEOSA-N 2 2 302.422 2.063 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001484061738 1079280789 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PMMXKYRQSBMJMX-HUUCEWRRSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001566131716 1075234821 /nfs/dbraw/zinc/23/48/21/1075234821.db2.gz PMMXKYRQSBMJMX-HUUCEWRRSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001566745853 1075333615 /nfs/dbraw/zinc/33/36/15/1075333615.db2.gz VWAVYJPJBCSVPA-OAHLLOKOSA-N 2 2 318.465 2.434 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001566745853 1075333616 /nfs/dbraw/zinc/33/36/16/1075333616.db2.gz VWAVYJPJBCSVPA-OAHLLOKOSA-N 2 2 318.465 2.434 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001566895781 1075377112 /nfs/dbraw/zinc/37/71/12/1075377112.db2.gz PARTYMCGCYICIV-ARFHVFGLSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001566895781 1075377117 /nfs/dbraw/zinc/37/71/17/1075377117.db2.gz PARTYMCGCYICIV-ARFHVFGLSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481465516 1079917892 /nfs/dbraw/zinc/91/78/92/1079917892.db2.gz UUNCRZYADXYRCQ-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481465516 1079917902 /nfs/dbraw/zinc/91/79/02/1079917902.db2.gz UUNCRZYADXYRCQ-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001656109266 1080048435 /nfs/dbraw/zinc/04/84/35/1080048435.db2.gz HZEIPDJLQWYPIE-ROUUACIJSA-N 2 2 315.461 2.398 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001656109266 1080048442 /nfs/dbraw/zinc/04/84/42/1080048442.db2.gz HZEIPDJLQWYPIE-ROUUACIJSA-N 2 2 315.461 2.398 20 30 DEEDLP C=CCC[NH+]1CC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481596594 1080118138 /nfs/dbraw/zinc/11/81/38/1080118138.db2.gz VVEQPSWLTOJNKD-KRWDZBQOSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CCC[NH+]1CC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481596594 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MJFRZDYBVFCLRM-ARFHVFGLSA-N 2 2 316.449 2.260 20 30 DEEDLP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001661216236 1080457197 /nfs/dbraw/zinc/45/71/97/1080457197.db2.gz MJFRZDYBVFCLRM-ARFHVFGLSA-N 2 2 316.449 2.260 20 30 DEEDLP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001661216236 1080457199 /nfs/dbraw/zinc/45/71/99/1080457199.db2.gz MJFRZDYBVFCLRM-ARFHVFGLSA-N 2 2 316.449 2.260 20 30 DEEDLP C#CC[NH2+]C1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001662114097 1080570959 /nfs/dbraw/zinc/57/09/59/1080570959.db2.gz YVARTZPAGYCOAR-JCYILVPMSA-N 2 2 316.449 2.121 20 30 DEEDLP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001481899607 1080591058 /nfs/dbraw/zinc/59/10/58/1080591058.db2.gz BMWZUUDJRASJFN-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481986348 1080672228 /nfs/dbraw/zinc/67/22/28/1080672228.db2.gz MZQHOOHANNCHRW-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481986348 1080672232 /nfs/dbraw/zinc/67/22/32/1080672232.db2.gz MZQHOOHANNCHRW-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664716397 1080947991 /nfs/dbraw/zinc/94/79/91/1080947991.db2.gz CKUROQZIFVLINJ-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664716397 1080947992 /nfs/dbraw/zinc/94/79/92/1080947992.db2.gz CKUROQZIFVLINJ-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664716397 1080947995 /nfs/dbraw/zinc/94/79/95/1080947995.db2.gz CKUROQZIFVLINJ-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664716397 1080947998 /nfs/dbraw/zinc/94/79/98/1080947998.db2.gz CKUROQZIFVLINJ-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269138572 1081135081 /nfs/dbraw/zinc/13/50/81/1081135081.db2.gz RSNQZLGNGFLXBX-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269138572 1081135082 /nfs/dbraw/zinc/13/50/82/1081135082.db2.gz RSNQZLGNGFLXBX-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269138391 1081135148 /nfs/dbraw/zinc/13/51/48/1081135148.db2.gz KAOCTHCSMIHUEP-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269138391 1081135149 /nfs/dbraw/zinc/13/51/49/1081135149.db2.gz KAOCTHCSMIHUEP-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001270180436 1081467293 /nfs/dbraw/zinc/46/72/93/1081467293.db2.gz GCEFLQGYJXEFMO-DOTOQJQBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001672568146 1081612708 /nfs/dbraw/zinc/61/27/08/1081612708.db2.gz YKZSGRWHBRCCTI-IXDOHACOSA-N 2 2 316.449 2.161 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001672568146 1081612709 /nfs/dbraw/zinc/61/27/09/1081612709.db2.gz YKZSGRWHBRCCTI-IXDOHACOSA-N 2 2 316.449 2.161 20 30 DEEDLP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482386105 1081783072 /nfs/dbraw/zinc/78/30/72/1081783072.db2.gz DSRPROCIKZCBSX-HZPDHXFCSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482451814 1081890938 /nfs/dbraw/zinc/89/09/38/1081890938.db2.gz ZUWMABACGWDERE-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482451814 1081890942 /nfs/dbraw/zinc/89/09/42/1081890942.db2.gz ZUWMABACGWDERE-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001674665845 1081902214 /nfs/dbraw/zinc/90/22/14/1081902214.db2.gz BIYHPTMXHZAVIA-KGLIPLIRSA-N 2 2 300.406 2.315 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271278875 1082004392 /nfs/dbraw/zinc/00/43/92/1082004392.db2.gz SXSQLFIVJZWXAT-JKSUJKDBSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001482497091 1082122036 /nfs/dbraw/zinc/12/20/36/1082122036.db2.gz BMNLUBHPCMHYBX-DOTOQJQBSA-N 2 2 318.465 2.146 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491165060 1084121264 /nfs/dbraw/zinc/12/12/64/1084121264.db2.gz UJILUIGYIIUPLA-KRWDZBQOSA-N 2 2 313.445 2.472 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001277755921 1084132115 /nfs/dbraw/zinc/13/21/15/1084132115.db2.gz KNMDKBMFMBQLCU-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCC#N)(C2)CCC3)cc1C#N ZINC001277938897 1084400877 /nfs/dbraw/zinc/40/08/77/1084400877.db2.gz HNBBXXMSAXIMHF-MSOLQXFVSA-N 2 2 311.433 2.335 20 30 DEEDLP C=CCC[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001277968203 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WVIQVYVBYJOMPN-CABCVRRESA-N 2 2 318.465 2.144 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316626738 1145404928 /nfs/dbraw/zinc/40/49/28/1145404928.db2.gz ZQDJJDYLDRONDJ-AEGPPILISA-N 2 2 304.438 2.100 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001491893603 1146961309 /nfs/dbraw/zinc/96/13/09/1146961309.db2.gz FXMRAXTXKRAWAI-HZPDHXFCSA-N 2 2 318.465 2.336 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317503477 1147536071 /nfs/dbraw/zinc/53/60/71/1147536071.db2.gz NXOYPGGZGYIDFT-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001316710319 1147591579 /nfs/dbraw/zinc/59/15/79/1147591579.db2.gz PZPSOBRGFLILEQ-WBVHZDCISA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001316831814 1147610913 /nfs/dbraw/zinc/61/09/13/1147610913.db2.gz IVIRRQJPPHOYQN-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001316831814 1147610914 /nfs/dbraw/zinc/61/09/14/1147610914.db2.gz IVIRRQJPPHOYQN-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317000857 1147647082 /nfs/dbraw/zinc/64/70/82/1147647082.db2.gz IDAALSWZUNYQIF-HOTGVXAUSA-N 2 2 316.449 2.381 20 30 DEEDLP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317008145 1147647619 /nfs/dbraw/zinc/64/76/19/1147647619.db2.gz UNTMQSCDEIJRCU-INIZCTEOSA-N 2 2 316.449 2.198 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001367169725 1147659892 /nfs/dbraw/zinc/65/98/92/1147659892.db2.gz DZHTVXAFKGCIOV-XJKCOSOUSA-N 2 2 322.840 2.140 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317151795 1147667133 /nfs/dbraw/zinc/66/71/33/1147667133.db2.gz KVCHPSDQSSJEKP-OAHLLOKOSA-N 2 2 317.433 2.037 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317155444 1147667615 /nfs/dbraw/zinc/66/76/15/1147667615.db2.gz UXRYDAATHGKCIT-OAHLLOKOSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001367265255 1147671440 /nfs/dbraw/zinc/67/14/40/1147671440.db2.gz XOZVQJIXXVFPNN-JTQLQIEISA-N 2 2 306.797 2.271 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001367539451 1147712205 /nfs/dbraw/zinc/71/22/05/1147712205.db2.gz ZYUTYRJXCLDCOR-UHFFFAOYSA-N 2 2 303.878 2.107 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001367539451 1147712206 /nfs/dbraw/zinc/71/22/06/1147712206.db2.gz ZYUTYRJXCLDCOR-UHFFFAOYSA-N 2 2 303.878 2.107 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001367539451 1147712208 /nfs/dbraw/zinc/71/22/08/1147712208.db2.gz ZYUTYRJXCLDCOR-UHFFFAOYSA-N 2 2 303.878 2.107 20 30 DEEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001324753262 1147839843 /nfs/dbraw/zinc/83/98/43/1147839843.db2.gz VJRXEDULEJLYDF-GOSISDBHSA-N 2 2 310.401 2.028 20 30 DEEDLP CC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181719795 199343992 /nfs/dbraw/zinc/34/39/92/199343992.db2.gz CGCFGUIJPKPZBC-GOSISDBHSA-N 2 2 301.434 2.273 20 30 DEEDLP CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181742737 199346773 /nfs/dbraw/zinc/34/67/73/199346773.db2.gz SXNWGWSMBGRDAP-GOSISDBHSA-N 2 2 301.434 2.273 20 30 DEEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000579701875 357017009 /nfs/dbraw/zinc/01/70/09/357017009.db2.gz OBKRMBBDDNDGFP-FRFSOERESA-N 2 2 316.424 2.254 20 30 DEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000590602378 357565032 /nfs/dbraw/zinc/56/50/32/357565032.db2.gz LKDPUOPJKXYAFE-GOSISDBHSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@H+](C)C(C)C ZINC000590602378 357565036 /nfs/dbraw/zinc/56/50/36/357565036.db2.gz LKDPUOPJKXYAFE-GOSISDBHSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+](C)C(C)C ZINC000590602378 357565039 /nfs/dbraw/zinc/56/50/39/357565039.db2.gz LKDPUOPJKXYAFE-GOSISDBHSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+](C)C(C)C ZINC000590602378 357565043 /nfs/dbraw/zinc/56/50/43/357565043.db2.gz LKDPUOPJKXYAFE-GOSISDBHSA-N 2 2 301.434 2.247 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867725 357773152 /nfs/dbraw/zinc/77/31/52/357773152.db2.gz RWPJDGGGALJRIF-JKSUJKDBSA-N 2 2 302.422 2.109 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867725 357773154 /nfs/dbraw/zinc/77/31/54/357773154.db2.gz RWPJDGGGALJRIF-JKSUJKDBSA-N 2 2 302.422 2.109 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000596980895 358798109 /nfs/dbraw/zinc/79/81/09/358798109.db2.gz WJKTUEBBJTYZHW-UHFFFAOYSA-N 2 2 321.428 2.019 20 30 DEEDLP C[NH+](CCC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)Cc1ccco1 ZINC000598617413 359261280 /nfs/dbraw/zinc/26/12/80/359261280.db2.gz QLDUSLKZIKOEKN-HNNXBMFYSA-N 2 2 307.438 2.334 20 30 DEEDLP C[NH+](CCC[N@H+](C)C[C@@H](O)CC(C)(C)C#N)Cc1ccco1 ZINC000598617413 359261283 /nfs/dbraw/zinc/26/12/83/359261283.db2.gz QLDUSLKZIKOEKN-HNNXBMFYSA-N 2 2 307.438 2.334 20 30 DEEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)CC(C)(C)C#N ZINC000598617413 359261287 /nfs/dbraw/zinc/26/12/87/359261287.db2.gz QLDUSLKZIKOEKN-HNNXBMFYSA-N 2 2 307.438 2.334 20 30 DEEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)CC(C)(C)C#N ZINC000598617413 359261290 /nfs/dbraw/zinc/26/12/90/359261290.db2.gz QLDUSLKZIKOEKN-HNNXBMFYSA-N 2 2 307.438 2.334 20 30 DEEDLP C=CCOc1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668794063 540731851 /nfs/dbraw/zinc/73/18/51/540731851.db2.gz ZNTAGIONWQGYBJ-UHFFFAOYSA-N 2 2 312.417 2.307 20 30 DEEDLP N#CC[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602885890 360610489 /nfs/dbraw/zinc/61/04/89/360610489.db2.gz YWHHMCPWGVFNRK-RBUKOAKNSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602885890 360610492 /nfs/dbraw/zinc/61/04/92/360610492.db2.gz YWHHMCPWGVFNRK-RBUKOAKNSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602885890 360610493 /nfs/dbraw/zinc/61/04/93/360610493.db2.gz YWHHMCPWGVFNRK-RBUKOAKNSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602885890 360610496 /nfs/dbraw/zinc/61/04/96/360610496.db2.gz YWHHMCPWGVFNRK-RBUKOAKNSA-N 2 2 313.445 2.249 20 30 DEEDLP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271833452 209252005 /nfs/dbraw/zinc/25/20/05/209252005.db2.gz FLSZUADOGXDWNP-MRXNPFEDSA-N 2 2 323.444 2.397 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682361509 542287746 /nfs/dbraw/zinc/28/77/46/542287746.db2.gz ZVQHQUVOJMWTPJ-FUHWJXTLSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682361509 542287750 /nfs/dbraw/zinc/28/77/50/542287750.db2.gz ZVQHQUVOJMWTPJ-FUHWJXTLSA-N 2 2 307.482 2.216 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCCO)CC2)cc1 ZINC000192932928 145080411 /nfs/dbraw/zinc/08/04/11/145080411.db2.gz ONAROIPDKARRCC-UHFFFAOYSA-N 2 2 301.434 2.275 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106065112 782000703 /nfs/dbraw/zinc/00/07/03/782000703.db2.gz PXDRQIPIAWVMRW-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346523287 146096613 /nfs/dbraw/zinc/09/66/13/146096613.db2.gz ZLTDRZLMRMBOMO-KRWDZBQOSA-N 2 2 322.368 2.045 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346523287 146096614 /nfs/dbraw/zinc/09/66/14/146096614.db2.gz ZLTDRZLMRMBOMO-KRWDZBQOSA-N 2 2 322.368 2.045 20 30 DEEDLP C=CCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000131525453 401851453 /nfs/dbraw/zinc/85/14/53/401851453.db2.gz ZRQPOSYJPQDTBR-MRXNPFEDSA-N 2 2 312.841 2.307 20 30 DEEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CCCCC1 ZINC000104178223 402199599 /nfs/dbraw/zinc/19/95/99/402199599.db2.gz KSLVMQNQYUMQEJ-UHFFFAOYSA-N 2 2 306.479 2.343 20 30 DEEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CCCCC1 ZINC000104178223 402199602 /nfs/dbraw/zinc/19/96/02/402199602.db2.gz KSLVMQNQYUMQEJ-UHFFFAOYSA-N 2 2 306.479 2.343 20 30 DEEDLP COCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000157202515 402292921 /nfs/dbraw/zinc/29/29/21/402292921.db2.gz CBQRZWQQKCCZOF-UHFFFAOYSA-N 2 2 305.422 2.346 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247527519 402571296 /nfs/dbraw/zinc/57/12/96/402571296.db2.gz NYIYJZXMCUZZFF-IAGOWNOFSA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247527519 402571299 /nfs/dbraw/zinc/57/12/99/402571299.db2.gz NYIYJZXMCUZZFF-IAGOWNOFSA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247527519 402571301 /nfs/dbraw/zinc/57/13/01/402571301.db2.gz NYIYJZXMCUZZFF-IAGOWNOFSA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247527519 402571303 /nfs/dbraw/zinc/57/13/03/402571303.db2.gz NYIYJZXMCUZZFF-IAGOWNOFSA-N 2 2 307.482 2.382 20 30 DEEDLP CC(C)(C)NC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277229722 403198303 /nfs/dbraw/zinc/19/83/03/403198303.db2.gz GPJJMZUYBRARLT-HNNXBMFYSA-N 2 2 320.506 2.307 20 30 DEEDLP CC(C)(C)NC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277229722 403198306 /nfs/dbraw/zinc/19/83/06/403198306.db2.gz GPJJMZUYBRARLT-HNNXBMFYSA-N 2 2 320.506 2.307 20 30 DEEDLP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341267457 403874663 /nfs/dbraw/zinc/87/46/63/403874663.db2.gz BXNCOJSPTKHYBN-HUUCEWRRSA-N 2 2 301.434 2.272 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000362720148 403983311 /nfs/dbraw/zinc/98/33/11/403983311.db2.gz SNASUQBKGWQDQB-PKOBYXMFSA-N 2 2 314.429 2.042 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000362720148 403983317 /nfs/dbraw/zinc/98/33/17/403983317.db2.gz SNASUQBKGWQDQB-PKOBYXMFSA-N 2 2 314.429 2.042 20 30 DEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238306 403999722 /nfs/dbraw/zinc/99/97/22/403999722.db2.gz ISJYEPNJMIBFIJ-KMFMINBZSA-N 2 2 316.424 2.206 20 30 DEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238306 403999734 /nfs/dbraw/zinc/99/97/34/403999734.db2.gz ISJYEPNJMIBFIJ-KMFMINBZSA-N 2 2 316.424 2.206 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000295690855 404005442 /nfs/dbraw/zinc/00/54/42/404005442.db2.gz DJTDJHLMKMKRHT-SOUVJXGZSA-N 2 2 300.406 2.293 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000295690855 404005445 /nfs/dbraw/zinc/00/54/45/404005445.db2.gz DJTDJHLMKMKRHT-SOUVJXGZSA-N 2 2 300.406 2.293 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(C#N)cs1 ZINC000355207435 404283811 /nfs/dbraw/zinc/28/38/11/404283811.db2.gz DVQIPLRDUPQPMD-VNQPRFMTSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(C#N)cs1 ZINC000355207435 404283821 /nfs/dbraw/zinc/28/38/21/404283821.db2.gz DVQIPLRDUPQPMD-VNQPRFMTSA-N 2 2 305.447 2.303 20 30 DEEDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329942173 404502466 /nfs/dbraw/zinc/50/24/66/404502466.db2.gz VJKQJFZSPPISAG-VNQPRFMTSA-N 2 2 319.405 2.059 20 30 DEEDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329942173 404502472 /nfs/dbraw/zinc/50/24/72/404502472.db2.gz VJKQJFZSPPISAG-VNQPRFMTSA-N 2 2 319.405 2.059 20 30 DEEDLP CC(C)(C#N)CCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365454119 404664108 /nfs/dbraw/zinc/66/41/08/404664108.db2.gz AWHCLRCJXYPTGT-INIZCTEOSA-N 2 2 320.481 2.121 20 30 DEEDLP CC(C)(C#N)CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365454119 404664110 /nfs/dbraw/zinc/66/41/10/404664110.db2.gz AWHCLRCJXYPTGT-INIZCTEOSA-N 2 2 320.481 2.121 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000439003179 405262087 /nfs/dbraw/zinc/26/20/87/405262087.db2.gz PXUCVIXJNFLXMW-IRXDYDNUSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000439003179 405262089 /nfs/dbraw/zinc/26/20/89/405262089.db2.gz PXUCVIXJNFLXMW-IRXDYDNUSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420403463 405344494 /nfs/dbraw/zinc/34/44/94/405344494.db2.gz KXYFPDHUJOKOJJ-XJKSGUPXSA-N 2 2 303.450 2.390 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420403463 405344497 /nfs/dbraw/zinc/34/44/97/405344497.db2.gz KXYFPDHUJOKOJJ-XJKSGUPXSA-N 2 2 303.450 2.390 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421334036 405465061 /nfs/dbraw/zinc/46/50/61/405465061.db2.gz PBMAIASGJPWSRN-MRXNPFEDSA-N 2 2 305.397 2.144 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421334036 405465063 /nfs/dbraw/zinc/46/50/63/405465063.db2.gz PBMAIASGJPWSRN-MRXNPFEDSA-N 2 2 305.397 2.144 20 30 DEEDLP [NH2+]=C(NCC[NH+]1CCSCC1)Nc1cccc2c1CCCC2 ZINC000262510005 225276422 /nfs/dbraw/zinc/27/64/22/225276422.db2.gz CULANROLMGLVSS-UHFFFAOYSA-N 2 2 318.490 2.341 20 30 DEEDLP CN1CC[NH+]=C1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000262686218 225282318 /nfs/dbraw/zinc/28/23/18/225282318.db2.gz YMCNBNAEZWDNQD-CYBMUJFWSA-N 2 2 314.355 2.199 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNc1nc[nH+]c(N)c1Cl)C(C)C ZINC000359563693 424830663 /nfs/dbraw/zinc/83/06/63/424830663.db2.gz SVPMNZPARDCZOU-GFCCVEGCSA-N 2 2 309.845 2.823 20 30 DEEDLP C=CC[C@]1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[NH2+]1 ZINC000662694902 425714323 /nfs/dbraw/zinc/71/43/23/425714323.db2.gz CZCQVUOLKVNGFC-LJQANCHMSA-N 2 2 324.428 2.461 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313926 500938392 /nfs/dbraw/zinc/93/83/92/500938392.db2.gz HITFFJHNGHQLAM-LPHOPBHVSA-N 2 2 312.461 2.016 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313926 500938396 /nfs/dbraw/zinc/93/83/96/500938396.db2.gz HITFFJHNGHQLAM-LPHOPBHVSA-N 2 2 312.461 2.016 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001440927292 1181778654 /nfs/dbraw/zinc/77/86/54/1181778654.db2.gz FCUXXPOBXQKCKB-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001440927292 1181778660 /nfs/dbraw/zinc/77/86/60/1181778660.db2.gz FCUXXPOBXQKCKB-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130403577 522804014 /nfs/dbraw/zinc/80/40/14/522804014.db2.gz CCSBJNTYCPZAPT-UHFFFAOYSA-N 2 2 322.372 2.327 20 30 DEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130403577 522804022 /nfs/dbraw/zinc/80/40/22/522804022.db2.gz CCSBJNTYCPZAPT-UHFFFAOYSA-N 2 2 322.372 2.327 20 30 DEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccc(Cl)s1 ZINC000261892574 526357007 /nfs/dbraw/zinc/35/70/07/526357007.db2.gz QTUYZOIICRHYCN-UHFFFAOYSA-N 2 2 300.859 2.114 20 30 DEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCSC(C)(C)C1 ZINC000261762655 526387846 /nfs/dbraw/zinc/38/78/46/526387846.db2.gz DBSOMVDSAMXMNR-UHFFFAOYSA-N 2 2 321.494 2.122 20 30 DEEDLP CC(C)Oc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262311350 528208392 /nfs/dbraw/zinc/20/83/92/528208392.db2.gz NZDXDQYTTYQBRZ-CJNGLKHVSA-N 2 2 304.438 2.014 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369741990 1149127820 /nfs/dbraw/zinc/12/78/20/1149127820.db2.gz DHBAUSNCUBEBPH-CHWSQXEVSA-N 2 2 310.829 2.064 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106436 782185382 /nfs/dbraw/zinc/18/53/82/782185382.db2.gz FYGZSULMNOHLIM-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106436 782185386 /nfs/dbraw/zinc/18/53/86/782185386.db2.gz FYGZSULMNOHLIM-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106436 782185390 /nfs/dbraw/zinc/18/53/90/782185390.db2.gz FYGZSULMNOHLIM-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106436 782185391 /nfs/dbraw/zinc/18/53/91/782185391.db2.gz FYGZSULMNOHLIM-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106435 782185144 /nfs/dbraw/zinc/18/51/44/782185144.db2.gz FYGZSULMNOHLIM-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106435 782185152 /nfs/dbraw/zinc/18/51/52/782185152.db2.gz FYGZSULMNOHLIM-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106435 782185164 /nfs/dbraw/zinc/18/51/64/782185164.db2.gz FYGZSULMNOHLIM-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106435 782185167 /nfs/dbraw/zinc/18/51/67/782185167.db2.gz FYGZSULMNOHLIM-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256723 625311958 /nfs/dbraw/zinc/31/19/58/625311958.db2.gz ZOTDRGVHWRYUAD-SJORKVTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256723 625311961 /nfs/dbraw/zinc/31/19/61/625311961.db2.gz ZOTDRGVHWRYUAD-SJORKVTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC(C)(C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000893267151 625344991 /nfs/dbraw/zinc/34/49/91/625344991.db2.gz KQTLCFHWOMEOHF-UHFFFAOYSA-N 2 2 322.497 2.201 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001026517608 625493131 /nfs/dbraw/zinc/49/31/31/625493131.db2.gz MWXKOHAGYQKKMH-QQFBHYJXSA-N 2 2 316.449 2.039 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892153179 624798516 /nfs/dbraw/zinc/79/85/16/624798516.db2.gz MVIPTRSGUSXZHZ-PBHICJAKSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892153179 624798517 /nfs/dbraw/zinc/79/85/17/624798517.db2.gz MVIPTRSGUSXZHZ-PBHICJAKSA-N 2 2 318.490 2.078 20 30 DEEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440524 625777665 /nfs/dbraw/zinc/77/76/65/625777665.db2.gz QOVRLBOBXQDKEB-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440524 625777673 /nfs/dbraw/zinc/77/76/73/625777673.db2.gz QOVRLBOBXQDKEB-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974882538 633351834 /nfs/dbraw/zinc/35/18/34/633351834.db2.gz JYFSZULMIZOAPZ-KRWDZBQOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974882538 633351837 /nfs/dbraw/zinc/35/18/37/633351837.db2.gz JYFSZULMIZOAPZ-KRWDZBQOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980145576 634862159 /nfs/dbraw/zinc/86/21/59/634862159.db2.gz RBNBZNTZRGSDMN-HRCADAONSA-N 2 2 324.428 2.351 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980145576 634862162 /nfs/dbraw/zinc/86/21/62/634862162.db2.gz RBNBZNTZRGSDMN-HRCADAONSA-N 2 2 324.428 2.351 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980232336 634907756 /nfs/dbraw/zinc/90/77/56/634907756.db2.gz WGYIKGYKTKZLNR-JYJNAYRXSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980232336 634907759 /nfs/dbraw/zinc/90/77/59/634907759.db2.gz WGYIKGYKTKZLNR-JYJNAYRXSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823108 635556240 /nfs/dbraw/zinc/55/62/40/635556240.db2.gz VIPUWWZHCQZPOQ-OAHLLOKOSA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823107 635556775 /nfs/dbraw/zinc/55/67/75/635556775.db2.gz VIPUWWZHCQZPOQ-HNNXBMFYSA-N 2 2 316.449 2.234 20 30 DEEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895166492 637711242 /nfs/dbraw/zinc/71/12/42/637711242.db2.gz RGTLDVISUCGQHO-INIZCTEOSA-N 2 2 319.449 2.114 20 30 DEEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895166492 637711244 /nfs/dbraw/zinc/71/12/44/637711244.db2.gz RGTLDVISUCGQHO-INIZCTEOSA-N 2 2 319.449 2.114 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCCCO2)cc1 ZINC000758764702 639993958 /nfs/dbraw/zinc/99/39/58/639993958.db2.gz TZYUYZSPOZFSEE-INIZCTEOSA-N 2 2 305.422 2.344 20 30 DEEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778187110 642350104 /nfs/dbraw/zinc/35/01/04/642350104.db2.gz IIARBVAAPGALTN-INIZCTEOSA-N 2 2 309.417 2.338 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000783292315 642992872 /nfs/dbraw/zinc/99/28/72/642992872.db2.gz AEIAYLXPEPLDDS-BEFAXECRSA-N 2 2 321.428 2.348 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000783292315 642992878 /nfs/dbraw/zinc/99/28/78/642992878.db2.gz AEIAYLXPEPLDDS-BEFAXECRSA-N 2 2 321.428 2.348 20 30 DEEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991389851 646109846 /nfs/dbraw/zinc/10/98/46/646109846.db2.gz SVTBRVCLQARGMP-PKOBYXMFSA-N 2 2 322.412 2.313 20 30 DEEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991389851 646109851 /nfs/dbraw/zinc/10/98/51/646109851.db2.gz SVTBRVCLQARGMP-PKOBYXMFSA-N 2 2 322.412 2.313 20 30 DEEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC000991389845 646110044 /nfs/dbraw/zinc/11/00/44/646110044.db2.gz SVTBRVCLQARGMP-IEBWSBKVSA-N 2 2 322.412 2.313 20 30 DEEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC000991389845 646110046 /nfs/dbraw/zinc/11/00/46/646110046.db2.gz SVTBRVCLQARGMP-IEBWSBKVSA-N 2 2 322.412 2.313 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183514 649177306 /nfs/dbraw/zinc/17/73/06/649177306.db2.gz IJZONNLUZCLPTO-HIFRSBDPSA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183514 649177307 /nfs/dbraw/zinc/17/73/07/649177307.db2.gz IJZONNLUZCLPTO-HIFRSBDPSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000733322160 649542583 /nfs/dbraw/zinc/54/25/83/649542583.db2.gz ANKPNINILNPSRV-IRXDYDNUSA-N 2 2 316.445 2.288 20 30 DEEDLP C#CCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000733322158 649542600 /nfs/dbraw/zinc/54/26/00/649542600.db2.gz ANKPNINILNPSRV-IAGOWNOFSA-N 2 2 316.445 2.288 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000848987004 651572163 /nfs/dbraw/zinc/57/21/63/651572163.db2.gz DNGNBAZGQDZKFJ-INIZCTEOSA-N 2 2 318.396 2.387 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228541 693891712 /nfs/dbraw/zinc/89/17/12/693891712.db2.gz SJNHDVSFQUHGMD-SFHVURJKSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228541 693891717 /nfs/dbraw/zinc/89/17/17/693891717.db2.gz SJNHDVSFQUHGMD-SFHVURJKSA-N 2 2 316.449 2.188 20 30 DEEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772777 694025747 /nfs/dbraw/zinc/02/57/47/694025747.db2.gz NWBDDCIGQLDWPS-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772777 694025753 /nfs/dbraw/zinc/02/57/53/694025753.db2.gz NWBDDCIGQLDWPS-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000929772777 694025758 /nfs/dbraw/zinc/02/57/58/694025758.db2.gz NWBDDCIGQLDWPS-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000929772777 694025762 /nfs/dbraw/zinc/02/57/62/694025762.db2.gz NWBDDCIGQLDWPS-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866347196 687543816 /nfs/dbraw/zinc/54/38/16/687543816.db2.gz FSNHUBWRJFDRCJ-GJZGRUSLSA-N 2 2 317.433 2.415 20 30 DEEDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866347196 687543820 /nfs/dbraw/zinc/54/38/20/687543820.db2.gz FSNHUBWRJFDRCJ-GJZGRUSLSA-N 2 2 317.433 2.415 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001016666028 687678656 /nfs/dbraw/zinc/67/86/56/687678656.db2.gz CHVSXSWZVPWTTB-IIAWOOMASA-N 2 2 314.433 2.060 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001016666028 687678660 /nfs/dbraw/zinc/67/86/60/687678660.db2.gz CHVSXSWZVPWTTB-IIAWOOMASA-N 2 2 314.433 2.060 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033077785 689379212 /nfs/dbraw/zinc/37/92/12/689379212.db2.gz IPDNAKMEFVWXFA-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033077785 689379214 /nfs/dbraw/zinc/37/92/14/689379214.db2.gz IPDNAKMEFVWXFA-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950765 689672087 /nfs/dbraw/zinc/67/20/87/689672087.db2.gz WZVIQNIGKYQELK-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950765 689672090 /nfs/dbraw/zinc/67/20/90/689672090.db2.gz WZVIQNIGKYQELK-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC=C(C)C)C1 ZINC001034249316 689781041 /nfs/dbraw/zinc/78/10/41/689781041.db2.gz IXLCZNSKJDEHFJ-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC=C(C)C)C1 ZINC001034249316 689781044 /nfs/dbraw/zinc/78/10/44/689781044.db2.gz IXLCZNSKJDEHFJ-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC=C(C)C)C1 ZINC001034249316 689781045 /nfs/dbraw/zinc/78/10/45/689781045.db2.gz IXLCZNSKJDEHFJ-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC=C(C)C)C1 ZINC001034249316 689781046 /nfs/dbraw/zinc/78/10/46/689781046.db2.gz IXLCZNSKJDEHFJ-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001034731668 689936247 /nfs/dbraw/zinc/93/62/47/689936247.db2.gz UBXSIOSAKIULOC-IHRRRGAJSA-N 2 2 302.422 2.033 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702662 690440219 /nfs/dbraw/zinc/44/02/19/690440219.db2.gz PMFKISRJGPQCDS-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702662 690440222 /nfs/dbraw/zinc/44/02/22/690440222.db2.gz PMFKISRJGPQCDS-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255488 691071009 /nfs/dbraw/zinc/07/10/09/691071009.db2.gz AYSWIOZKNIFCST-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255488 691071012 /nfs/dbraw/zinc/07/10/12/691071012.db2.gz AYSWIOZKNIFCST-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039279795 691074013 /nfs/dbraw/zinc/07/40/13/691074013.db2.gz DGADTCVGSPHGSA-MQVJKMGUSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039279795 691074016 /nfs/dbraw/zinc/07/40/16/691074016.db2.gz DGADTCVGSPHGSA-MQVJKMGUSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039307338 691077861 /nfs/dbraw/zinc/07/78/61/691077861.db2.gz HQSLLLKVEPJITB-GOOCMWNKSA-N 2 2 316.449 2.375 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717828 691415685 /nfs/dbraw/zinc/41/56/85/691415685.db2.gz UILRCZNSISCWKG-FUHWJXTLSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717828 691415690 /nfs/dbraw/zinc/41/56/90/691415690.db2.gz UILRCZNSISCWKG-FUHWJXTLSA-N 2 2 316.449 2.335 20 30 DEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001044693136 691874200 /nfs/dbraw/zinc/87/42/00/691874200.db2.gz NDYBXAZERSQLLE-DOTOQJQBSA-N 2 2 322.412 2.088 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046454180 692191600 /nfs/dbraw/zinc/19/16/00/692191600.db2.gz MRMAPQZOGWDVEO-MRXNPFEDSA-N 2 2 318.808 2.281 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046454180 692191597 /nfs/dbraw/zinc/19/15/97/692191597.db2.gz MRMAPQZOGWDVEO-MRXNPFEDSA-N 2 2 318.808 2.281 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049760255 692990176 /nfs/dbraw/zinc/99/01/76/692990176.db2.gz ZPXAGAHPGNYBAS-GVDBMIGSSA-N 2 2 316.449 2.476 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049760255 692990180 /nfs/dbraw/zinc/99/01/80/692990180.db2.gz ZPXAGAHPGNYBAS-GVDBMIGSSA-N 2 2 316.449 2.476 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052460977 693539730 /nfs/dbraw/zinc/53/97/30/693539730.db2.gz JFZHAJAHNHEKCE-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052460977 693539733 /nfs/dbraw/zinc/53/97/33/693539733.db2.gz JFZHAJAHNHEKCE-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052460977 693539735 /nfs/dbraw/zinc/53/97/35/693539735.db2.gz JFZHAJAHNHEKCE-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052460977 693539737 /nfs/dbraw/zinc/53/97/37/693539737.db2.gz JFZHAJAHNHEKCE-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052555638 693566276 /nfs/dbraw/zinc/56/62/76/693566276.db2.gz SWMSYGJSBVOUPY-HNNXBMFYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052555638 693566278 /nfs/dbraw/zinc/56/62/78/693566278.db2.gz SWMSYGJSBVOUPY-HNNXBMFYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104314 693690025 /nfs/dbraw/zinc/69/00/25/693690025.db2.gz ODTGETSHXXKWLG-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104314 693690029 /nfs/dbraw/zinc/69/00/29/693690029.db2.gz ODTGETSHXXKWLG-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001402433749 1162354439 /nfs/dbraw/zinc/35/44/39/1162354439.db2.gz QPOJABXRMHRNJT-OLZOCXBDSA-N 2 2 324.856 2.266 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001402829045 1162486719 /nfs/dbraw/zinc/48/67/19/1162486719.db2.gz YNHMODOYTMNMHK-LBPRGKRZSA-N 2 2 312.845 2.164 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001391767891 1156791271 /nfs/dbraw/zinc/79/12/71/1156791271.db2.gz ANNTXPSHAJALFZ-GFCCVEGCSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001391767896 1156791531 /nfs/dbraw/zinc/79/15/31/1156791531.db2.gz ANNTXPSHAJALFZ-LBPRGKRZSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001392084427 1156864584 /nfs/dbraw/zinc/86/45/84/1156864584.db2.gz SWCGCEKYKPEURQ-LBPRGKRZSA-N 2 2 306.797 2.137 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001405382668 1164068981 /nfs/dbraw/zinc/06/89/81/1164068981.db2.gz FJDZVVUQJWKQIA-UHFFFAOYSA-N 2 2 310.829 2.044 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001418128940 1167429865 /nfs/dbraw/zinc/42/98/65/1167429865.db2.gz NNITXLGXBICUPV-HUUCEWRRSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001418128940 1167429868 /nfs/dbraw/zinc/42/98/68/1167429868.db2.gz NNITXLGXBICUPV-HUUCEWRRSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421292293 1171679526 /nfs/dbraw/zinc/67/95/26/1171679526.db2.gz FAOXFNQMIPQZRO-MRXNPFEDSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421292293 1171679534 /nfs/dbraw/zinc/67/95/34/1171679534.db2.gz FAOXFNQMIPQZRO-MRXNPFEDSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001440927292 1181778643 /nfs/dbraw/zinc/77/86/43/1181778643.db2.gz FCUXXPOBXQKCKB-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001440927292 1181778648 /nfs/dbraw/zinc/77/86/48/1181778648.db2.gz FCUXXPOBXQKCKB-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001441131671 1181862450 /nfs/dbraw/zinc/86/24/50/1181862450.db2.gz GGQIQTAATQVHFH-OAHLLOKOSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001441131671 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C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccccc1C#N ZINC000269137491 207267992 /nfs/dbraw/zinc/26/79/92/207267992.db2.gz UTUAJEKPVAUUCZ-UHFFFAOYSA-N 2 2 311.389 2.105 20 30 DEEDLP N#Cc1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346477892 146088796 /nfs/dbraw/zinc/08/87/96/146088796.db2.gz FKAGOYIAWZRWSE-SFHVURJKSA-N 2 2 309.369 2.485 20 30 DEEDLP N#Cc1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346477892 146088800 /nfs/dbraw/zinc/08/88/00/146088800.db2.gz FKAGOYIAWZRWSE-SFHVURJKSA-N 2 2 309.369 2.485 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134929888 401920325 /nfs/dbraw/zinc/92/03/25/401920325.db2.gz IMTSUPOTDXSFNU-SJLPKXTDSA-N 2 2 317.477 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134929888 401920327 /nfs/dbraw/zinc/92/03/27/401920327.db2.gz IMTSUPOTDXSFNU-SJLPKXTDSA-N 2 2 317.477 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134929888 401920328 /nfs/dbraw/zinc/92/03/28/401920328.db2.gz IMTSUPOTDXSFNU-SJLPKXTDSA-N 2 2 317.477 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134929888 401920330 /nfs/dbraw/zinc/92/03/30/401920330.db2.gz IMTSUPOTDXSFNU-SJLPKXTDSA-N 2 2 317.477 2.136 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000067201584 402153981 /nfs/dbraw/zinc/15/39/81/402153981.db2.gz AZXNDRLFPKSRHA-UHFFFAOYSA-N 2 2 308.385 2.156 20 30 DEEDLP Cc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000166031015 402480433 /nfs/dbraw/zinc/48/04/33/402480433.db2.gz ZAJXSHVYMAYSIX-UHFFFAOYSA-N 2 2 322.412 2.463 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169610 402515288 /nfs/dbraw/zinc/51/52/88/402515288.db2.gz PLQBDCQIPNXNDL-CABCVRRESA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169610 402515289 /nfs/dbraw/zinc/51/52/89/402515289.db2.gz PLQBDCQIPNXNDL-CABCVRRESA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246169610 402515290 /nfs/dbraw/zinc/51/52/90/402515290.db2.gz PLQBDCQIPNXNDL-CABCVRRESA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246169610 402515291 /nfs/dbraw/zinc/51/52/91/402515291.db2.gz PLQBDCQIPNXNDL-CABCVRRESA-N 2 2 314.433 2.159 20 30 DEEDLP CCCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000270957414 403245019 /nfs/dbraw/zinc/24/50/19/403245019.db2.gz WRXKJHAMQNPDMH-UHFFFAOYSA-N 2 2 319.449 2.470 20 30 DEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862835 403310807 /nfs/dbraw/zinc/31/08/07/403310807.db2.gz MLJVQBKWQKKFSI-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862835 403310811 /nfs/dbraw/zinc/31/08/11/403310811.db2.gz MLJVQBKWQKKFSI-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862835 403310816 /nfs/dbraw/zinc/31/08/16/403310816.db2.gz MLJVQBKWQKKFSI-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862835 403310819 /nfs/dbraw/zinc/31/08/19/403310819.db2.gz MLJVQBKWQKKFSI-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1(C#N)CC1 ZINC000343317688 403537119 /nfs/dbraw/zinc/53/71/19/403537119.db2.gz FEODLQVVVACGGK-UHFFFAOYSA-N 3 2 318.509 2.418 20 30 DEEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1(C#N)CC1 ZINC000343317688 403537124 /nfs/dbraw/zinc/53/71/24/403537124.db2.gz FEODLQVVVACGGK-UHFFFAOYSA-N 3 2 318.509 2.418 20 30 DEEDLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1 ZINC000287008243 403552740 /nfs/dbraw/zinc/55/27/40/403552740.db2.gz FNXSXKUZOPPFTF-QGZVFWFLSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297880701 404649358 /nfs/dbraw/zinc/64/93/58/404649358.db2.gz VBMNBTBERGFVNQ-MRXNPFEDSA-N 2 2 302.418 2.239 20 30 DEEDLP Cn1c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2[nH+]c1C1CC1 ZINC000424164014 405027027 /nfs/dbraw/zinc/02/70/27/405027027.db2.gz BIWLMEXIJRWIEH-CYBMUJFWSA-N 2 2 311.389 2.410 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226919 404982358 /nfs/dbraw/zinc/98/23/58/404982358.db2.gz DFQCPNHLSDAQFU-IEBWSBKVSA-N 3 2 323.525 2.363 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226919 404982365 /nfs/dbraw/zinc/98/23/65/404982365.db2.gz DFQCPNHLSDAQFU-IEBWSBKVSA-N 3 2 323.525 2.363 20 30 DEEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)O ZINC000449542387 405605312 /nfs/dbraw/zinc/60/53/12/405605312.db2.gz MJIFQBPXTPARRW-RDTXWAMCSA-N 2 2 301.434 2.272 20 30 DEEDLP CC[NH2+]CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000516173554 406087602 /nfs/dbraw/zinc/08/76/02/406087602.db2.gz BBINZIJLVRPWDK-UHFFFAOYSA-N 3 2 300.450 2.112 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068504 406250017 /nfs/dbraw/zinc/25/00/17/406250017.db2.gz GBOWVBLVUYVYAN-ZFWWWQNUSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068504 406250019 /nfs/dbraw/zinc/25/00/19/406250019.db2.gz GBOWVBLVUYVYAN-ZFWWWQNUSA-N 2 2 323.400 2.108 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000490866649 406499189 /nfs/dbraw/zinc/49/91/89/406499189.db2.gz RNIMNNISFDKBRB-UHFFFAOYSA-N 2 2 323.396 2.261 20 30 DEEDLP C[NH+]1CCC2(CC1)C[N@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000646104368 406781063 /nfs/dbraw/zinc/78/10/63/406781063.db2.gz KZHZOMVRJCRZDR-UHFFFAOYSA-N 2 2 318.848 2.488 20 30 DEEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CCO2 ZINC000646104368 406781067 /nfs/dbraw/zinc/78/10/67/406781067.db2.gz KZHZOMVRJCRZDR-UHFFFAOYSA-N 2 2 318.848 2.488 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129461387 196050755 /nfs/dbraw/zinc/05/07/55/196050755.db2.gz KKEPMLANDZVWEQ-IKGGRYGDSA-N 2 2 316.449 2.355 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129461387 196050757 /nfs/dbraw/zinc/05/07/57/196050757.db2.gz KKEPMLANDZVWEQ-IKGGRYGDSA-N 2 2 316.449 2.355 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1=O ZINC000660677615 425204679 /nfs/dbraw/zinc/20/46/79/425204679.db2.gz NHABDJKGTMWLCY-SFHVURJKSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000497135842 331637844 /nfs/dbraw/zinc/63/78/44/331637844.db2.gz YKVZXWJRRDONHK-UHFFFAOYSA-N 2 2 309.454 2.282 20 30 DEEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124749 526478328 /nfs/dbraw/zinc/47/83/28/526478328.db2.gz DKFHZGGYCKMQGW-QZTJIDSGSA-N 2 2 319.493 2.361 20 30 DEEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124749 526478333 /nfs/dbraw/zinc/47/83/33/526478333.db2.gz DKFHZGGYCKMQGW-QZTJIDSGSA-N 2 2 319.493 2.361 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278510 526623507 /nfs/dbraw/zinc/62/35/07/526623507.db2.gz AEQWTNWAKLQNCV-IAGOWNOFSA-N 2 2 307.482 2.121 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278510 526623512 /nfs/dbraw/zinc/62/35/12/526623512.db2.gz AEQWTNWAKLQNCV-IAGOWNOFSA-N 2 2 307.482 2.121 20 30 DEEDLP CC(C)Oc1ccc([C@@H](CNC2=[NH+]CCCN2C)[NH+](C)C)cc1 ZINC000263084935 528204550 /nfs/dbraw/zinc/20/45/50/528204550.db2.gz IFLQNLVOKLFTAU-QGZVFWFLSA-N 2 2 318.465 2.358 20 30 DEEDLP CC(C)Cc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262343150 528654460 /nfs/dbraw/zinc/65/44/60/528654460.db2.gz ZDBARNWWXCSXSE-QGZVFWFLSA-N 2 2 302.466 2.379 20 30 DEEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CC[C@]2(CCOC2)C1 ZINC000261972171 528807555 /nfs/dbraw/zinc/80/75/55/528807555.db2.gz NCJKJMBEVRGZIX-SFHVURJKSA-N 2 2 316.449 2.010 20 30 DEEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)O ZINC000449542385 535894228 /nfs/dbraw/zinc/89/42/28/535894228.db2.gz MJIFQBPXTPARRW-KDOFPFPSSA-N 2 2 301.434 2.272 20 30 DEEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]12 ZINC001026318131 625293587 /nfs/dbraw/zinc/29/35/87/625293587.db2.gz UBDBEWNCYSRJDU-BRWVUGGUSA-N 2 2 311.429 2.080 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256722 625311451 /nfs/dbraw/zinc/31/14/51/625311451.db2.gz ZOTDRGVHWRYUAD-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256722 625311455 /nfs/dbraw/zinc/31/14/55/625311455.db2.gz ZOTDRGVHWRYUAD-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293817 625327953 /nfs/dbraw/zinc/32/79/53/625327953.db2.gz UTDYMGSKQMABPW-SJORKVTESA-N 2 2 316.449 2.292 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293817 625327956 /nfs/dbraw/zinc/32/79/56/625327956.db2.gz UTDYMGSKQMABPW-SJORKVTESA-N 2 2 316.449 2.292 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585828 625335176 /nfs/dbraw/zinc/33/51/76/625335176.db2.gz NNIFVFSUDZIVDW-GJZGRUSLSA-N 2 2 316.449 2.234 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585828 625335183 /nfs/dbraw/zinc/33/51/83/625335183.db2.gz NNIFVFSUDZIVDW-GJZGRUSLSA-N 2 2 316.449 2.234 20 30 DEEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000970223208 623345768 /nfs/dbraw/zinc/34/57/68/623345768.db2.gz KNQKKFFTSZNVCR-OAHLLOKOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000970223207 623345992 /nfs/dbraw/zinc/34/59/92/623345992.db2.gz KNQKKFFTSZNVCR-HNNXBMFYSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371119 625242729 /nfs/dbraw/zinc/24/27/29/625242729.db2.gz SKNJFQCGFRCLSG-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371119 625242736 /nfs/dbraw/zinc/24/27/36/625242736.db2.gz SKNJFQCGFRCLSG-HNNXBMFYSA-N 2 2 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691861776 /nfs/dbraw/zinc/86/17/76/691861776.db2.gz ZMDUEPUNURDQHA-CHWSQXEVSA-N 2 2 310.829 2.064 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627019 692945464 /nfs/dbraw/zinc/94/54/64/692945464.db2.gz URZFRRBGJBOYMR-SJORKVTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627019 692945466 /nfs/dbraw/zinc/94/54/66/692945466.db2.gz URZFRRBGJBOYMR-SJORKVTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077308 693101690 /nfs/dbraw/zinc/10/16/90/693101690.db2.gz RHCXHICZDCTUEO-SUMWQHHRSA-N 2 2 310.401 2.285 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077308 693101693 /nfs/dbraw/zinc/10/16/93/693101693.db2.gz RHCXHICZDCTUEO-SUMWQHHRSA-N 2 2 310.401 2.285 20 30 DEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363784520 1153628162 /nfs/dbraw/zinc/62/81/62/1153628162.db2.gz AGFYGRLXPIWJFE-FUHWJXTLSA-N 2 2 324.428 2.280 20 30 DEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363784520 1153628169 /nfs/dbraw/zinc/62/81/69/1153628169.db2.gz AGFYGRLXPIWJFE-FUHWJXTLSA-N 2 2 324.428 2.280 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001394694721 1158686248 /nfs/dbraw/zinc/68/62/48/1158686248.db2.gz OVCAWQIDKAHCAS-DZGCQCFKSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001394694721 1158686252 /nfs/dbraw/zinc/68/62/52/1158686252.db2.gz OVCAWQIDKAHCAS-DZGCQCFKSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001394694721 1158686258 /nfs/dbraw/zinc/68/62/58/1158686258.db2.gz OVCAWQIDKAHCAS-DZGCQCFKSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001394694721 1158686272 /nfs/dbraw/zinc/68/62/72/1158686272.db2.gz OVCAWQIDKAHCAS-DZGCQCFKSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001378084635 1161006381 /nfs/dbraw/zinc/00/63/81/1161006381.db2.gz WAWAOGHBOAVFDF-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001378084635 1161006390 /nfs/dbraw/zinc/00/63/90/1161006390.db2.gz WAWAOGHBOAVFDF-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001378084635 1161006399 /nfs/dbraw/zinc/00/63/99/1161006399.db2.gz WAWAOGHBOAVFDF-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001378084635 1161006408 /nfs/dbraw/zinc/00/64/08/1161006408.db2.gz WAWAOGHBOAVFDF-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001398760021 1161093013 /nfs/dbraw/zinc/09/30/13/1161093013.db2.gz FUSICOOMOHXKOC-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001398760021 1161093020 /nfs/dbraw/zinc/09/30/20/1161093020.db2.gz FUSICOOMOHXKOC-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001401842383 1162150977 /nfs/dbraw/zinc/15/09/77/1162150977.db2.gz VPIKGKSCYAPLJD-LSDHHAIUSA-N 2 2 324.856 2.290 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001405027656 1163898323 /nfs/dbraw/zinc/89/83/23/1163898323.db2.gz VGZVYGBEJSUONZ-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001405027656 1163898324 /nfs/dbraw/zinc/89/83/24/1163898324.db2.gz VGZVYGBEJSUONZ-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001418955294 1168093538 /nfs/dbraw/zinc/09/35/38/1168093538.db2.gz OMWRWQGCBDYPDE-OAHLLOKOSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001418955294 1168093545 /nfs/dbraw/zinc/09/35/45/1168093545.db2.gz OMWRWQGCBDYPDE-OAHLLOKOSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001437898313 1180057665 /nfs/dbraw/zinc/05/76/65/1180057665.db2.gz BIFVVTWEWWOJLJ-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001437898313 1180057676 /nfs/dbraw/zinc/05/76/76/1180057676.db2.gz BIFVVTWEWWOJLJ-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001442553543 1182531529 /nfs/dbraw/zinc/53/15/29/1182531529.db2.gz JBVQQIBWBUDYFX-UHFFFAOYSA-N 2 2 309.841 2.162 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001442553543 1182531548 /nfs/dbraw/zinc/53/15/48/1182531548.db2.gz JBVQQIBWBUDYFX-UHFFFAOYSA-N 2 2 309.841 2.162 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318596 782652214 /nfs/dbraw/zinc/65/22/14/782652214.db2.gz JCCVQFNVTITTDE-UKRRQHHQSA-N 2 2 312.417 2.437 20 30 DEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441776 783110211 /nfs/dbraw/zinc/11/02/11/783110211.db2.gz KYLWKCPGGXZEDF-OAHLLOKOSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441776 783110215 /nfs/dbraw/zinc/11/02/15/783110215.db2.gz KYLWKCPGGXZEDF-OAHLLOKOSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540313 783165975 /nfs/dbraw/zinc/16/59/75/783165975.db2.gz RKVNWXIVISKBJF-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540313 783165981 /nfs/dbraw/zinc/16/59/81/783165981.db2.gz RKVNWXIVISKBJF-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310305 777768790 /nfs/dbraw/zinc/76/87/90/777768790.db2.gz ULVVXDSRGDQKJW-COXVUDFISA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310305 777768796 /nfs/dbraw/zinc/76/87/96/777768796.db2.gz ULVVXDSRGDQKJW-COXVUDFISA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321744 777785109 /nfs/dbraw/zinc/78/51/09/777785109.db2.gz YCFYRTMZSSQODW-OIISXLGYSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321744 777785114 /nfs/dbraw/zinc/78/51/14/777785114.db2.gz YCFYRTMZSSQODW-OIISXLGYSA-N 2 2 316.449 2.064 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579200 780538096 /nfs/dbraw/zinc/53/80/96/780538096.db2.gz UIBSCXUIBSFFOB-CBBWQLFWSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579200 780538103 /nfs/dbraw/zinc/53/81/03/780538103.db2.gz UIBSCXUIBSFFOB-CBBWQLFWSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579200 780538108 /nfs/dbraw/zinc/53/81/08/780538108.db2.gz UIBSCXUIBSFFOB-CBBWQLFWSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579200 780538114 /nfs/dbraw/zinc/53/81/14/780538114.db2.gz UIBSCXUIBSFFOB-CBBWQLFWSA-N 2 2 313.873 2.048 20 30 DEEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590765 786166384 /nfs/dbraw/zinc/16/63/84/786166384.db2.gz PGTFYTDBXIXLCU-WMZOPIPTSA-N 2 2 316.449 2.068 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596848 787129242 /nfs/dbraw/zinc/12/92/42/787129242.db2.gz IKUXQQNEEOOJPS-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015596848 787129246 /nfs/dbraw/zinc/12/92/46/787129246.db2.gz IKUXQQNEEOOJPS-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015596848 787129248 /nfs/dbraw/zinc/12/92/48/787129248.db2.gz IKUXQQNEEOOJPS-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015596848 787129252 /nfs/dbraw/zinc/12/92/52/787129252.db2.gz IKUXQQNEEOOJPS-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596850 787129265 /nfs/dbraw/zinc/12/92/65/787129265.db2.gz IKUXQQNEEOOJPS-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015596850 787129268 /nfs/dbraw/zinc/12/92/68/787129268.db2.gz IKUXQQNEEOOJPS-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015596850 787129270 /nfs/dbraw/zinc/12/92/70/787129270.db2.gz IKUXQQNEEOOJPS-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015596850 787129273 /nfs/dbraw/zinc/12/92/73/787129273.db2.gz IKUXQQNEEOOJPS-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221705 787980298 /nfs/dbraw/zinc/98/02/98/787980298.db2.gz 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1060534379 /nfs/dbraw/zinc/53/43/79/1060534379.db2.gz JFSKSMKIWCOCAR-UHFFFAOYSA-N 2 2 318.465 2.397 20 30 DEEDLP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001505400274 1060534396 /nfs/dbraw/zinc/53/43/96/1060534396.db2.gz JFSKSMKIWCOCAR-UHFFFAOYSA-N 2 2 318.465 2.397 20 30 DEEDLP N#Cc1c(N)sc2c1CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001473857961 1060742499 /nfs/dbraw/zinc/74/24/99/1060742499.db2.gz FPTGPVLQUZPITD-UHFFFAOYSA-N 2 2 304.463 2.436 20 30 DEEDLP N#Cc1c(N)sc2c1CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001473857961 1060742515 /nfs/dbraw/zinc/74/25/15/1060742515.db2.gz FPTGPVLQUZPITD-UHFFFAOYSA-N 2 2 304.463 2.436 20 30 DEEDLP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001479846790 1061902076 /nfs/dbraw/zinc/90/20/76/1061902076.db2.gz BUEBPCLUKNXVBD-INIZCTEOSA-N 2 2 318.465 2.240 20 30 DEEDLP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001479846790 1061902102 /nfs/dbraw/zinc/90/21/02/1061902102.db2.gz BUEBPCLUKNXVBD-INIZCTEOSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001480272569 1062579005 /nfs/dbraw/zinc/57/90/05/1062579005.db2.gz VTYHNFAQCNHMLI-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001480272569 1062579023 /nfs/dbraw/zinc/57/90/23/1062579023.db2.gz VTYHNFAQCNHMLI-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001480329560 1062665247 /nfs/dbraw/zinc/66/52/47/1062665247.db2.gz AYOVYNMFKYJCFC-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001480329560 1062665260 /nfs/dbraw/zinc/66/52/60/1062665260.db2.gz AYOVYNMFKYJCFC-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001480329560 1062665275 /nfs/dbraw/zinc/66/52/75/1062665275.db2.gz AYOVYNMFKYJCFC-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001480329560 1062665286 /nfs/dbraw/zinc/66/52/86/1062665286.db2.gz AYOVYNMFKYJCFC-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001480698327 1063206649 /nfs/dbraw/zinc/20/66/49/1063206649.db2.gz MKEHPBNKBCLPAD-KGLIPLIRSA-N 2 2 310.829 2.043 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001567379603 1064171250 /nfs/dbraw/zinc/17/12/50/1064171250.db2.gz YMKVBRWDVWINRH-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001567379603 1064171255 /nfs/dbraw/zinc/17/12/55/1064171255.db2.gz YMKVBRWDVWINRH-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001567798021 1064429335 /nfs/dbraw/zinc/42/93/35/1064429335.db2.gz FIPSHXNLWORGIB-CQSZACIVSA-N 2 2 304.438 2.082 20 30 DEEDLP C#CCC[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001568023538 1064602739 /nfs/dbraw/zinc/60/27/39/1064602739.db2.gz VJJCKVMTJWNLJN-SFHVURJKSA-N 2 2 310.401 2.074 20 30 DEEDLP C=CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001568043005 1064613857 /nfs/dbraw/zinc/61/38/57/1064613857.db2.gz CJVMCHJCEHPNHK-QAPCUYQASA-N 2 2 318.465 2.193 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001568528868 1064939965 /nfs/dbraw/zinc/93/99/65/1064939965.db2.gz RSFHDHUSUUBHPC-ZBFHGGJFSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001568528868 1064939975 /nfs/dbraw/zinc/93/99/75/1064939975.db2.gz RSFHDHUSUUBHPC-ZBFHGGJFSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001496278341 1065380561 /nfs/dbraw/zinc/38/05/61/1065380561.db2.gz HZLCUKGNAJFEIN-JKSUJKDBSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001496371240 1065432342 /nfs/dbraw/zinc/43/23/42/1065432342.db2.gz YZLXTVISDIZRKC-GJZGRUSLSA-N 2 2 318.465 2.480 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492267 1065507560 /nfs/dbraw/zinc/50/75/60/1065507560.db2.gz RMZGUGROYGXCLK-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001569703398 1065679635 /nfs/dbraw/zinc/67/96/35/1065679635.db2.gz PVCXMSUIVQFGKD-UHFFFAOYSA-N 2 2 318.465 2.458 20 30 DEEDLP C=CCCC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001570260666 1065993767 /nfs/dbraw/zinc/99/37/67/1065993767.db2.gz HQHAUCUMCSHDFT-UHFFFAOYSA-N 2 2 304.438 2.279 20 30 DEEDLP CC#CC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001570265518 1065995923 /nfs/dbraw/zinc/99/59/23/1065995923.db2.gz QHKLJKISAJSKPF-UHFFFAOYSA-N 2 2 316.449 2.047 20 30 DEEDLP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001497764628 1066295585 /nfs/dbraw/zinc/29/55/85/1066295585.db2.gz PSEGOSHYHUWERC-XITLMJRVSA-N 2 2 321.852 2.304 20 30 DEEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC001580035914 1067478064 /nfs/dbraw/zinc/47/80/64/1067478064.db2.gz JAQLEAVSLCZLBZ-HKUYNNGSSA-N 2 2 312.461 2.259 20 30 DEEDLP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001571277344 1068209519 /nfs/dbraw/zinc/20/95/19/1068209519.db2.gz MQSFRJSDPMQRMD-JKSUJKDBSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001571626593 1068448012 /nfs/dbraw/zinc/44/80/12/1068448012.db2.gz CNDOFLJYQLIFBN-CABCVRRESA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001267284256 1078730708 /nfs/dbraw/zinc/73/07/08/1078730708.db2.gz ATFULYKWRRIEKX-MRXNPFEDSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001267284256 1078730709 /nfs/dbraw/zinc/73/07/09/1078730709.db2.gz ATFULYKWRRIEKX-MRXNPFEDSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565994353 1075213772 /nfs/dbraw/zinc/21/37/72/1075213772.db2.gz FKXJNRFOHSMELX-PVAVHDDUSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565994353 1075213778 /nfs/dbraw/zinc/21/37/78/1075213778.db2.gz FKXJNRFOHSMELX-PVAVHDDUSA-N 2 2 316.449 2.064 20 30 DEEDLP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001566529658 1075271039 /nfs/dbraw/zinc/27/10/39/1075271039.db2.gz WICGKEPMQYLIBC-HZPDHXFCSA-N 2 2 324.428 2.330 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001566966630 1075402911 /nfs/dbraw/zinc/40/29/11/1075402911.db2.gz XUGCVSPEHLEOCY-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001566966630 1075402912 /nfs/dbraw/zinc/40/29/12/1075402912.db2.gz XUGCVSPEHLEOCY-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001566967804 1075402941 /nfs/dbraw/zinc/40/29/41/1075402941.db2.gz WJIRLVZJNCGXFM-GDBMZVCRSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001566967804 1075402943 /nfs/dbraw/zinc/40/29/43/1075402943.db2.gz WJIRLVZJNCGXFM-GDBMZVCRSA-N 2 2 318.465 2.444 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001567257803 1075478059 /nfs/dbraw/zinc/47/80/59/1075478059.db2.gz PATWMJWLOPRMAK-INIZCTEOSA-N 2 2 324.428 2.332 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001567257803 1075478062 /nfs/dbraw/zinc/47/80/62/1075478062.db2.gz PATWMJWLOPRMAK-INIZCTEOSA-N 2 2 324.428 2.332 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484527240 1079641214 /nfs/dbraw/zinc/64/12/14/1079641214.db2.gz ROKCCAGIGOCAET-MRXNPFEDSA-N 2 2 318.465 2.331 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484542921 1079648978 /nfs/dbraw/zinc/64/89/78/1079648978.db2.gz ZTPDEBZYLDDPBQ-HZPDHXFCSA-N 2 2 304.438 2.239 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001656112673 1080048069 /nfs/dbraw/zinc/04/80/69/1080048069.db2.gz HMJMSSUJEYDEIM-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001656112673 1080048079 /nfs/dbraw/zinc/04/80/79/1080048079.db2.gz HMJMSSUJEYDEIM-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C#CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001268118718 1080088254 /nfs/dbraw/zinc/08/82/54/1080088254.db2.gz DKOTUEACJQOZKO-WBVHZDCISA-N 2 2 316.449 2.122 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001268142748 1080111675 /nfs/dbraw/zinc/11/16/75/1080111675.db2.gz QPMYLBLMHREOHN-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C#CCC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001485457038 1080226536 /nfs/dbraw/zinc/22/65/36/1080226536.db2.gz GUCZOWXZQPUQTF-OAHLLOKOSA-N 2 2 316.449 2.020 20 30 DEEDLP C#CCC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001485457038 1080226541 /nfs/dbraw/zinc/22/65/41/1080226541.db2.gz GUCZOWXZQPUQTF-OAHLLOKOSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657718 1080358945 /nfs/dbraw/zinc/35/89/45/1080358945.db2.gz NASGZRTYKYZDMY-BBWFWOEESA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657718 1080358951 /nfs/dbraw/zinc/35/89/51/1080358951.db2.gz NASGZRTYKYZDMY-BBWFWOEESA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001661073733 1080438608 /nfs/dbraw/zinc/43/86/08/1080438608.db2.gz TZLHMRIMCKDBFZ-GOEBONIOSA-N 2 2 316.449 2.278 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001661073735 1080439133 /nfs/dbraw/zinc/43/91/33/1080439133.db2.gz TZLHMRIMCKDBFZ-ZBFHGGJFSA-N 2 2 316.449 2.278 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC=C ZINC001661866944 1080537189 /nfs/dbraw/zinc/53/71/89/1080537189.db2.gz XVUHGNFJXGGPBG-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC=C 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C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235123428 1084320241 /nfs/dbraw/zinc/32/02/41/1084320241.db2.gz MGGDWYGKHBASLJ-GDBMZVCRSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001081111394 1089357937 /nfs/dbraw/zinc/35/79/37/1089357937.db2.gz UGYUHZZAVDRYRJ-DLBZAZTESA-N 2 2 324.428 2.113 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085046471 1090614091 /nfs/dbraw/zinc/61/40/91/1090614091.db2.gz ZDTAZTYPEWETBP-BBWFWOEESA-N 2 2 316.449 2.333 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085046471 1090614096 /nfs/dbraw/zinc/61/40/96/1090614096.db2.gz ZDTAZTYPEWETBP-BBWFWOEESA-N 2 2 316.449 2.333 20 30 DEEDLP C=C(C)C[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001273801854 1092059866 /nfs/dbraw/zinc/05/98/66/1092059866.db2.gz IULVSIYMANBPGQ-UHFFFAOYSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001273807351 1092102383 /nfs/dbraw/zinc/10/23/83/1092102383.db2.gz KENVURXNJWDFPV-UHFFFAOYSA-N 2 2 304.438 2.210 20 30 DEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)c(C#N)cn1 ZINC001293587748 1139001659 /nfs/dbraw/zinc/00/16/59/1139001659.db2.gz CUPMJCFLAKGRRP-UHFFFAOYSA-N 2 2 318.340 2.403 20 30 DEEDLP CCCCCCCC[C@@H](O)C[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001245994263 1140843678 /nfs/dbraw/zinc/84/36/78/1140843678.db2.gz PKYQZTPAPWIVBP-QGZVFWFLSA-N 3 2 301.519 2.358 20 30 DEEDLP CCCCCCCC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001245994263 1140843681 /nfs/dbraw/zinc/84/36/81/1140843681.db2.gz PKYQZTPAPWIVBP-QGZVFWFLSA-N 3 2 301.519 2.358 20 30 DEEDLP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)cc(C#N)c21 ZINC001246327585 1140884491 /nfs/dbraw/zinc/88/44/91/1140884491.db2.gz OSPHNZREUZVUDT-ACJLOTCBSA-N 2 2 324.428 2.446 20 30 DEEDLP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001252614513 1142789377 /nfs/dbraw/zinc/78/93/77/1142789377.db2.gz KYKFPXLXVDAGON-LJQANCHMSA-N 2 2 313.445 2.439 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258730216 1144036376 /nfs/dbraw/zinc/03/63/76/1144036376.db2.gz BYSPDEVAKNWOGG-INIZCTEOSA-N 2 2 317.481 2.477 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258730216 1144036380 /nfs/dbraw/zinc/03/63/80/1144036380.db2.gz BYSPDEVAKNWOGG-INIZCTEOSA-N 2 2 317.481 2.477 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001263919708 1144424265 /nfs/dbraw/zinc/42/42/65/1144424265.db2.gz CBUQICBQFSCWLD-SOUVJXGZSA-N 2 2 304.438 2.181 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001265329332 1144694424 /nfs/dbraw/zinc/69/44/24/1144694424.db2.gz DORHMNGYVYIJBK-MRXNPFEDSA-N 2 2 316.449 2.210 20 30 DEEDLP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001281499748 1144893528 /nfs/dbraw/zinc/89/35/28/1144893528.db2.gz GPGKBEVUTQNUHY-HUUCEWRRSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001281499748 1144893529 /nfs/dbraw/zinc/89/35/29/1144893529.db2.gz GPGKBEVUTQNUHY-HUUCEWRRSA-N 2 2 316.449 2.450 20 30 DEEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001282676655 1145121245 /nfs/dbraw/zinc/12/12/45/1145121245.db2.gz UKKZBGHSBUEQGF-IAGOWNOFSA-N 2 2 316.449 2.218 20 30 DEEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001282676655 1145121260 /nfs/dbraw/zinc/12/12/60/1145121260.db2.gz UKKZBGHSBUEQGF-IAGOWNOFSA-N 2 2 316.449 2.218 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001491820281 1146901826 /nfs/dbraw/zinc/90/18/26/1146901826.db2.gz RCSKVPJZWPLCPS-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317434895 1147707877 /nfs/dbraw/zinc/70/78/77/1147707877.db2.gz NQZRUKZSQVMVOW-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317434895 1147707878 /nfs/dbraw/zinc/70/78/78/1147707878.db2.gz NQZRUKZSQVMVOW-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317687331 1147744447 /nfs/dbraw/zinc/74/44/47/1147744447.db2.gz SEWACOOMSCHEGW-GJZGRUSLSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317687331 1147744449 /nfs/dbraw/zinc/74/44/49/1147744449.db2.gz SEWACOOMSCHEGW-GJZGRUSLSA-N 2 2 318.465 2.381 20 30 DEEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000192787187 282697490 /nfs/dbraw/zinc/69/74/90/282697490.db2.gz MDJKLTUUSMKLQK-DOTOQJQBSA-N 3 2 304.482 2.217 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000089152510 355522075 /nfs/dbraw/zinc/52/20/75/355522075.db2.gz DEYIAFDYZOSCDX-UHFFFAOYSA-N 2 2 323.481 2.483 20 30 DEEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724041 359306053 /nfs/dbraw/zinc/30/60/53/359306053.db2.gz LHTMLLFYQJFKQB-WBVHZDCISA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724041 359306056 /nfs/dbraw/zinc/30/60/56/359306056.db2.gz LHTMLLFYQJFKQB-WBVHZDCISA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157811 361285789 /nfs/dbraw/zinc/28/57/89/361285789.db2.gz YSFYLPHAPHGNCC-HOCLYGCPSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157811 361285792 /nfs/dbraw/zinc/28/57/92/361285792.db2.gz YSFYLPHAPHGNCC-HOCLYGCPSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610813023 361471468 /nfs/dbraw/zinc/47/14/68/361471468.db2.gz VMCWYTARNFVZLJ-QFBILLFUSA-N 2 2 312.461 2.227 20 30 DEEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000610813023 361471472 /nfs/dbraw/zinc/47/14/72/361471472.db2.gz VMCWYTARNFVZLJ-QFBILLFUSA-N 2 2 312.461 2.227 20 30 DEEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289521490 221039289 /nfs/dbraw/zinc/03/92/89/221039289.db2.gz BCVZLIVGGHKGAG-SFHVURJKSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289521490 221039291 /nfs/dbraw/zinc/03/92/91/221039291.db2.gz BCVZLIVGGHKGAG-SFHVURJKSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289521490 221039293 /nfs/dbraw/zinc/03/92/93/221039293.db2.gz BCVZLIVGGHKGAG-SFHVURJKSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289521490 221039294 /nfs/dbraw/zinc/03/92/94/221039294.db2.gz BCVZLIVGGHKGAG-SFHVURJKSA-N 2 2 301.434 2.224 20 30 DEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852936 285395296 /nfs/dbraw/zinc/39/52/96/285395296.db2.gz GGPJVMLRFCUDSY-CVEARBPZSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852936 285395297 /nfs/dbraw/zinc/39/52/97/285395297.db2.gz GGPJVMLRFCUDSY-CVEARBPZSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852936 285395298 /nfs/dbraw/zinc/39/52/98/285395298.db2.gz GGPJVMLRFCUDSY-CVEARBPZSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852936 285395300 /nfs/dbraw/zinc/39/53/00/285395300.db2.gz GGPJVMLRFCUDSY-CVEARBPZSA-N 2 2 320.481 2.134 20 30 DEEDLP C=CC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000121425437 402035039 /nfs/dbraw/zinc/03/50/39/402035039.db2.gz XHCJNJHALYNCOC-UHFFFAOYSA-N 2 2 319.474 2.292 20 30 DEEDLP C=CC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000121425437 402035041 /nfs/dbraw/zinc/03/50/41/402035041.db2.gz XHCJNJHALYNCOC-UHFFFAOYSA-N 2 2 319.474 2.292 20 30 DEEDLP C=C(Cl)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066666563 402139743 /nfs/dbraw/zinc/13/97/43/402139743.db2.gz LYDPXILHNLWQCT-UHFFFAOYSA-N 2 2 307.869 2.489 20 30 DEEDLP C=C(Cl)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066666563 402139746 /nfs/dbraw/zinc/13/97/46/402139746.db2.gz LYDPXILHNLWQCT-UHFFFAOYSA-N 2 2 307.869 2.489 20 30 DEEDLP C#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000184768797 402298781 /nfs/dbraw/zinc/29/87/81/402298781.db2.gz QQBMPSXZIPTGGX-UHFFFAOYSA-N 2 2 322.412 2.119 20 30 DEEDLP N#Cc1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000292096208 403289751 /nfs/dbraw/zinc/28/97/51/403289751.db2.gz FYXBMABOAPDIJD-KRWDZBQOSA-N 2 2 314.433 2.282 20 30 DEEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000292096208 403289754 /nfs/dbraw/zinc/28/97/54/403289754.db2.gz FYXBMABOAPDIJD-KRWDZBQOSA-N 2 2 314.433 2.282 20 30 DEEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000286144252 403458977 /nfs/dbraw/zinc/45/89/77/403458977.db2.gz PDBRIYCEKZYKPF-CABCVRRESA-N 2 2 305.422 2.216 20 30 DEEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000286144252 403458978 /nfs/dbraw/zinc/45/89/78/403458978.db2.gz PDBRIYCEKZYKPF-CABCVRRESA-N 2 2 305.422 2.216 20 30 DEEDLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](c2ccccc2)C1 ZINC000329003111 404196458 /nfs/dbraw/zinc/19/64/58/404196458.db2.gz HKEOCXVTETVYAD-NXHRZFHOSA-N 2 2 324.428 2.500 20 30 DEEDLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](c2ccccc2)C1 ZINC000329003111 404196467 /nfs/dbraw/zinc/19/64/67/404196467.db2.gz HKEOCXVTETVYAD-NXHRZFHOSA-N 2 2 324.428 2.500 20 30 DEEDLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000329003791 404197284 /nfs/dbraw/zinc/19/72/84/404197284.db2.gz YDPWFHBQSOHFPE-ILXRZTDVSA-N 2 2 319.453 2.089 20 30 DEEDLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000329003791 404197292 /nfs/dbraw/zinc/19/72/92/404197292.db2.gz YDPWFHBQSOHFPE-ILXRZTDVSA-N 2 2 319.453 2.089 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370004567 404301368 /nfs/dbraw/zinc/30/13/68/404301368.db2.gz FJPCAXUHIXQERV-RDJZCZTQSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370004567 404301376 /nfs/dbraw/zinc/30/13/76/404301376.db2.gz FJPCAXUHIXQERV-RDJZCZTQSA-N 2 2 322.497 2.151 20 30 DEEDLP CCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)CCC#N ZINC000414088834 404509511 /nfs/dbraw/zinc/50/95/11/404509511.db2.gz BMCQACIXABOLGJ-CQSZACIVSA-N 2 2 300.406 2.195 20 30 DEEDLP CCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000414088834 404509516 /nfs/dbraw/zinc/50/95/16/404509516.db2.gz BMCQACIXABOLGJ-CQSZACIVSA-N 2 2 300.406 2.195 20 30 DEEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000329725176 404434093 /nfs/dbraw/zinc/43/40/93/404434093.db2.gz ODTKEMSESPXCNM-CYBMUJFWSA-N 2 2 319.453 2.035 20 30 DEEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000329725176 404434101 /nfs/dbraw/zinc/43/41/01/404434101.db2.gz ODTKEMSESPXCNM-CYBMUJFWSA-N 2 2 319.453 2.035 20 30 DEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330320381 404624892 /nfs/dbraw/zinc/62/48/92/404624892.db2.gz FALFYMNZQQNSRT-FMKPAKJESA-N 2 2 320.437 2.471 20 30 DEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330320381 404624905 /nfs/dbraw/zinc/62/49/05/404624905.db2.gz FALFYMNZQQNSRT-FMKPAKJESA-N 2 2 320.437 2.471 20 30 DEEDLP COc1cccc([C@@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)c1 ZINC000399557962 405062094 /nfs/dbraw/zinc/06/20/94/405062094.db2.gz DHKYRAWSXYVDHG-GOSISDBHSA-N 2 2 310.401 2.407 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491371171 406579485 /nfs/dbraw/zinc/57/94/85/406579485.db2.gz CZJZWHXAKSKWMW-GOSISDBHSA-N 2 2 323.396 2.186 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491371171 406579488 /nfs/dbraw/zinc/57/94/88/406579488.db2.gz CZJZWHXAKSKWMW-GOSISDBHSA-N 2 2 323.396 2.186 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000132672808 196274656 /nfs/dbraw/zinc/27/46/56/196274656.db2.gz FGLBVNQAHVXNQS-SFHVURJKSA-N 2 2 314.477 2.492 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000132672808 196274658 /nfs/dbraw/zinc/27/46/58/196274658.db2.gz FGLBVNQAHVXNQS-SFHVURJKSA-N 2 2 314.477 2.492 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000262514545 225275968 /nfs/dbraw/zinc/27/59/68/225275968.db2.gz FQTNUROICHLBNK-UHFFFAOYSA-N 2 2 300.410 2.030 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000521992982 269996145 /nfs/dbraw/zinc/99/61/45/269996145.db2.gz IJQQDLBNODCPGE-QGZVFWFLSA-N 3 2 312.461 2.112 20 30 DEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280255753 273479219 /nfs/dbraw/zinc/47/92/19/273479219.db2.gz OXSOOVQMQYLSPB-CQSZACIVSA-N 2 2 324.428 2.120 20 30 DEEDLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000329003792 276244372 /nfs/dbraw/zinc/24/43/72/276244372.db2.gz YDPWFHBQSOHFPE-KKUMJFAQSA-N 2 2 319.453 2.089 20 30 DEEDLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000329003792 276244373 /nfs/dbraw/zinc/24/43/73/276244373.db2.gz YDPWFHBQSOHFPE-KKUMJFAQSA-N 2 2 319.453 2.089 20 30 DEEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262764422 277750633 /nfs/dbraw/zinc/75/06/33/277750633.db2.gz FLZXWCRHJWIEBP-ARFHVFGLSA-N 2 2 324.538 2.169 20 30 DEEDLP C[C@H]1C[NH+]=C(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)N1 ZINC000262474341 300306269 /nfs/dbraw/zinc/30/62/69/300306269.db2.gz BSLJIWKANZBKJT-GXFFZTMASA-N 2 2 314.355 2.245 20 30 DEEDLP Cc1ccc(CCC[NH+]2CCN(c3cnccc3C#N)CC2)c[nH+]1 ZINC000583240356 337284874 /nfs/dbraw/zinc/28/48/74/337284874.db2.gz ZKLCWWARIDKQBB-UHFFFAOYSA-N 2 2 321.428 2.412 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124242507 524266500 /nfs/dbraw/zinc/26/65/00/524266500.db2.gz XUXXFTIDMSSISO-AWEZNQCLSA-N 2 2 311.389 2.104 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124242507 524266505 /nfs/dbraw/zinc/26/65/05/524266505.db2.gz XUXXFTIDMSSISO-AWEZNQCLSA-N 2 2 311.389 2.104 20 30 DEEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NCc1ccco1 ZINC000264060608 526366458 /nfs/dbraw/zinc/36/64/58/526366458.db2.gz PKXDYHWXNSPRGT-UHFFFAOYSA-N 2 2 311.389 2.303 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NCC1CC1 ZINC000262706780 526375298 /nfs/dbraw/zinc/37/52/98/526375298.db2.gz BRFPKRPRFJWAMN-LBPRGKRZSA-N 2 2 306.479 2.070 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NCC1CC1 ZINC000262706780 526375306 /nfs/dbraw/zinc/37/53/06/526375306.db2.gz BRFPKRPRFJWAMN-LBPRGKRZSA-N 2 2 306.479 2.070 20 30 DEEDLP C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374996643 527292570 /nfs/dbraw/zinc/29/25/70/527292570.db2.gz HWGVNDOVIHSNMV-HOTGVXAUSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374996643 527292577 /nfs/dbraw/zinc/29/25/77/527292577.db2.gz HWGVNDOVIHSNMV-HOTGVXAUSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000368602291 527465950 /nfs/dbraw/zinc/46/59/50/527465950.db2.gz JAQMZRFCAJZKNV-XYTVBORESA-N 2 2 307.482 2.404 20 30 DEEDLP C=CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000368602291 527465952 /nfs/dbraw/zinc/46/59/52/527465952.db2.gz JAQMZRFCAJZKNV-XYTVBORESA-N 2 2 307.482 2.404 20 30 DEEDLP CCCCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264055155 528450212 /nfs/dbraw/zinc/45/02/12/528450212.db2.gz AMOGETOUIIZYMD-CQSZACIVSA-N 2 2 322.453 2.011 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274501 625319973 /nfs/dbraw/zinc/31/99/73/625319973.db2.gz ZFHLQJQVTWSAMP-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274501 625319981 /nfs/dbraw/zinc/31/99/81/625319981.db2.gz ZFHLQJQVTWSAMP-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421580 625420791 /nfs/dbraw/zinc/42/07/91/625420791.db2.gz CRQXCWZLLPMNDG-WBVHZDCISA-N 2 2 324.428 2.106 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421580 625420794 /nfs/dbraw/zinc/42/07/94/625420794.db2.gz CRQXCWZLLPMNDG-WBVHZDCISA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025490148 625481219 /nfs/dbraw/zinc/48/12/19/625481219.db2.gz QFHIFGCSWOJBRY-HZPDHXFCSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025490148 625481221 /nfs/dbraw/zinc/48/12/21/625481221.db2.gz QFHIFGCSWOJBRY-HZPDHXFCSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001026508135 625490168 /nfs/dbraw/zinc/49/01/68/625490168.db2.gz FCMIFEYZGDPYIV-NWINJMCUSA-N 2 2 322.840 2.283 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001026508135 625490169 /nfs/dbraw/zinc/49/01/69/625490169.db2.gz FCMIFEYZGDPYIV-NWINJMCUSA-N 2 2 322.840 2.283 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000327967454 625490771 /nfs/dbraw/zinc/49/07/71/625490771.db2.gz FFNPAKJMTZBMHW-UHFFFAOYSA-N 2 2 312.360 2.341 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000327967454 625490778 /nfs/dbraw/zinc/49/07/78/625490778.db2.gz FFNPAKJMTZBMHW-UHFFFAOYSA-N 2 2 312.360 2.341 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001026514642 625492529 /nfs/dbraw/zinc/49/25/29/625492529.db2.gz MTHAUAYXKRYDRT-UHFFFAOYSA-N 2 2 304.438 2.130 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000926489321 625155094 /nfs/dbraw/zinc/15/50/94/625155094.db2.gz GSRGONWZVWZTET-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000926489321 625155099 /nfs/dbraw/zinc/15/50/99/625155099.db2.gz GSRGONWZVWZTET-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001026296266 625273210 /nfs/dbraw/zinc/27/32/10/625273210.db2.gz VKSHSBVUSXVEIF-JGGQBBKZSA-N 2 2 310.401 2.189 20 30 DEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439742 625776165 /nfs/dbraw/zinc/77/61/65/625776165.db2.gz GAQFFXHXVPTGNY-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439742 625776171 /nfs/dbraw/zinc/77/61/71/625776171.db2.gz GAQFFXHXVPTGNY-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978159725 634229880 /nfs/dbraw/zinc/22/98/80/634229880.db2.gz LZKVAUUTMGCKPK-OSYLJGHBSA-N 2 2 324.428 2.126 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978159725 634229886 /nfs/dbraw/zinc/22/98/86/634229886.db2.gz LZKVAUUTMGCKPK-OSYLJGHBSA-N 2 2 324.428 2.126 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027920363 634967258 /nfs/dbraw/zinc/96/72/58/634967258.db2.gz HYGWZTIPVJUREH-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027920363 634967260 /nfs/dbraw/zinc/96/72/60/634967260.db2.gz HYGWZTIPVJUREH-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027920363 634967262 /nfs/dbraw/zinc/96/72/62/634967262.db2.gz HYGWZTIPVJUREH-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980475431 635015133 /nfs/dbraw/zinc/01/51/33/635015133.db2.gz FYSQOKKGJOLHLM-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000980475431 635015138 /nfs/dbraw/zinc/01/51/38/635015138.db2.gz FYSQOKKGJOLHLM-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000980475431 635015146 /nfs/dbraw/zinc/01/51/46/635015146.db2.gz FYSQOKKGJOLHLM-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130828 635677689 /nfs/dbraw/zinc/67/76/89/635677689.db2.gz WOWYTJCTRYKTCZ-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130828 635677692 /nfs/dbraw/zinc/67/76/92/635677692.db2.gz WOWYTJCTRYKTCZ-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000922659668 636304706 /nfs/dbraw/zinc/30/47/06/636304706.db2.gz HYVRMQGXSBTZKZ-KRWDZBQOSA-N 2 2 312.417 2.249 20 30 DEEDLP CCO[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C[NH+](C)C ZINC000922756902 636380122 /nfs/dbraw/zinc/38/01/22/636380122.db2.gz QEMHZSBAXBRHHZ-WMLDXEAASA-N 2 2 305.422 2.034 20 30 DEEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCSC2(CCCCC2)C1 ZINC000261812959 636548297 /nfs/dbraw/zinc/54/82/97/636548297.db2.gz SVHLUQYOFQAUPG-UHFFFAOYSA-N 2 2 310.511 2.019 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661304 636572169 /nfs/dbraw/zinc/57/21/69/636572169.db2.gz IYUFRMWNURPKNJ-CYBMUJFWSA-N 2 2 318.808 2.139 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661304 636572173 /nfs/dbraw/zinc/57/21/73/636572173.db2.gz IYUFRMWNURPKNJ-CYBMUJFWSA-N 2 2 318.808 2.139 20 30 DEEDLP COc1ccc(C(N)=[NH+]OCC[N@H+](C)Cc2ccccc2)cc1 ZINC000842021406 650628861 /nfs/dbraw/zinc/62/88/61/650628861.db2.gz NNFIXEOMVVYSLU-UHFFFAOYSA-N 2 2 313.401 2.464 20 30 DEEDLP COc1ccc(C(N)=[NH+]OCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000842021406 650628862 /nfs/dbraw/zinc/62/88/62/650628862.db2.gz NNFIXEOMVVYSLU-UHFFFAOYSA-N 2 2 313.401 2.464 20 30 DEEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000812747193 646692057 /nfs/dbraw/zinc/69/20/57/646692057.db2.gz RGXIYITXCBXKAB-UHFFFAOYSA-N 2 2 315.417 2.065 20 30 DEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000992753550 647221457 /nfs/dbraw/zinc/22/14/57/647221457.db2.gz UFMHEDYDEDUYJT-BZUAXINKSA-N 2 2 324.428 2.351 20 30 DEEDLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770545 648180776 /nfs/dbraw/zinc/18/07/76/648180776.db2.gz IEFFSTXPRGUDOA-QAPCUYQASA-N 2 2 301.434 2.398 20 30 DEEDLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770545 648180777 /nfs/dbraw/zinc/18/07/77/648180777.db2.gz IEFFSTXPRGUDOA-QAPCUYQASA-N 2 2 301.434 2.398 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053011 649142782 /nfs/dbraw/zinc/14/27/82/649142782.db2.gz JANBVARJTNMKGH-WMLDXEAASA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053011 649142783 /nfs/dbraw/zinc/14/27/83/649142783.db2.gz JANBVARJTNMKGH-WMLDXEAASA-N 2 2 324.428 2.106 20 30 DEEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000848533074 651468098 /nfs/dbraw/zinc/46/80/98/651468098.db2.gz GZNPYVJEUFULHR-KRWDZBQOSA-N 2 2 317.408 2.430 20 30 DEEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000848533076 651468168 /nfs/dbraw/zinc/46/81/68/651468168.db2.gz GZNPYVJEUFULHR-QGZVFWFLSA-N 2 2 317.408 2.430 20 30 DEEDLP CCOc1ccc(/C=N\[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000849169359 651616295 /nfs/dbraw/zinc/61/62/95/651616295.db2.gz BKZIKKMVQDDQDE-CCNLRRDASA-N 2 2 321.465 2.482 20 30 DEEDLP CCOc1ccc(/C=N\[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000849169359 651616296 /nfs/dbraw/zinc/61/62/96/651616296.db2.gz BKZIKKMVQDDQDE-CCNLRRDASA-N 2 2 321.465 2.482 20 30 DEEDLP [NH2+]=C(NCCn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303776022 685234566 /nfs/dbraw/zinc/23/45/66/685234566.db2.gz HJRBHJSIFBIGFG-UHFFFAOYSA-N 2 2 313.283 2.209 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001054653641 694016026 /nfs/dbraw/zinc/01/60/26/694016026.db2.gz BYXFWFJMFOCBDS-CZUORRHYSA-N 2 2 312.417 2.269 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930574 687470283 /nfs/dbraw/zinc/47/02/83/687470283.db2.gz QVWNMLVYSJEEFK-HNNXBMFYSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930574 687470288 /nfs/dbraw/zinc/47/02/88/687470288.db2.gz QVWNMLVYSJEEFK-HNNXBMFYSA-N 2 2 313.873 2.050 20 30 DEEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016686627 687682371 /nfs/dbraw/zinc/68/23/71/687682371.db2.gz CJNDGBPGMPGUEZ-QGZVFWFLSA-N 2 2 322.412 2.171 20 30 DEEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372728 694148497 /nfs/dbraw/zinc/14/84/97/694148497.db2.gz CVIPWTLBBPJYJR-LSDHHAIUSA-N 2 2 307.463 2.085 20 30 DEEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372728 694148498 /nfs/dbraw/zinc/14/84/98/694148498.db2.gz CVIPWTLBBPJYJR-LSDHHAIUSA-N 2 2 307.463 2.085 20 30 DEEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372728 694148501 /nfs/dbraw/zinc/14/85/01/694148501.db2.gz CVIPWTLBBPJYJR-LSDHHAIUSA-N 2 2 307.463 2.085 20 30 DEEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372728 694148503 /nfs/dbraw/zinc/14/85/03/694148503.db2.gz CVIPWTLBBPJYJR-LSDHHAIUSA-N 2 2 307.463 2.085 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017945572 688008525 /nfs/dbraw/zinc/00/85/25/688008525.db2.gz RUHCTWXACAJLOR-DAYGRLMNSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001017945572 688008527 /nfs/dbraw/zinc/00/85/27/688008527.db2.gz RUHCTWXACAJLOR-DAYGRLMNSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017945572 688008532 /nfs/dbraw/zinc/00/85/32/688008532.db2.gz RUHCTWXACAJLOR-DAYGRLMNSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017945572 688008536 /nfs/dbraw/zinc/00/85/36/688008536.db2.gz RUHCTWXACAJLOR-DAYGRLMNSA-N 2 2 323.456 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001018047113 688038000 /nfs/dbraw/zinc/03/80/00/688038000.db2.gz IKWPNWFIFVHKBZ-BHYGNILZSA-N 2 2 316.449 2.230 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001018047113 688038003 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20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001393877199 1158038573 /nfs/dbraw/zinc/03/85/73/1158038573.db2.gz NIXBGINTHKLJHY-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001393877199 1158038581 /nfs/dbraw/zinc/03/85/81/1158038581.db2.gz NIXBGINTHKLJHY-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001393877199 1158038587 /nfs/dbraw/zinc/03/85/87/1158038587.db2.gz NIXBGINTHKLJHY-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377122672 1159924626 /nfs/dbraw/zinc/92/46/26/1159924626.db2.gz ZMYCSKGPQRTIBT-UHFFFAOYSA-N 2 2 310.829 2.066 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001378084646 1161006298 /nfs/dbraw/zinc/00/62/98/1161006298.db2.gz WAWAOGHBOAVFDF-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001378084646 1161006306 /nfs/dbraw/zinc/00/63/06/1161006306.db2.gz WAWAOGHBOAVFDF-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001378084646 1161006313 /nfs/dbraw/zinc/00/63/13/1161006313.db2.gz WAWAOGHBOAVFDF-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001378084646 1161006320 /nfs/dbraw/zinc/00/63/20/1161006320.db2.gz WAWAOGHBOAVFDF-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001403783806 1163180325 /nfs/dbraw/zinc/18/03/25/1163180325.db2.gz HZMUQTRBHJWWKG-ZIAGYGMSSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001403783806 1163180339 /nfs/dbraw/zinc/18/03/39/1163180339.db2.gz HZMUQTRBHJWWKG-ZIAGYGMSSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001421248144 1171635455 /nfs/dbraw/zinc/63/54/55/1171635455.db2.gz MFSPPQZAMCAMFG-LRDDRELGSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001421248144 1171635458 /nfs/dbraw/zinc/63/54/58/1171635458.db2.gz MFSPPQZAMCAMFG-LRDDRELGSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001439463975 1181099031 /nfs/dbraw/zinc/09/90/31/1181099031.db2.gz ATXPVOAGFBVXIM-OAHLLOKOSA-N 2 2 318.808 2.413 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001440500901 1181565392 /nfs/dbraw/zinc/56/53/92/1181565392.db2.gz YEGJAWZNXCKHHC-KGLIPLIRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001440500901 1181565402 /nfs/dbraw/zinc/56/54/02/1181565402.db2.gz YEGJAWZNXCKHHC-KGLIPLIRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001440500901 1181565413 /nfs/dbraw/zinc/56/54/13/1181565413.db2.gz YEGJAWZNXCKHHC-KGLIPLIRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001440500901 1181565418 /nfs/dbraw/zinc/56/54/18/1181565418.db2.gz YEGJAWZNXCKHHC-KGLIPLIRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001441638449 1182105532 /nfs/dbraw/zinc/10/55/32/1182105532.db2.gz CZGUZUWKCJIIII-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001441638449 1182105535 /nfs/dbraw/zinc/10/55/35/1182105535.db2.gz CZGUZUWKCJIIII-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001441638449 1182105539 /nfs/dbraw/zinc/10/55/39/1182105539.db2.gz CZGUZUWKCJIIII-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001441638449 1182105547 /nfs/dbraw/zinc/10/55/47/1182105547.db2.gz CZGUZUWKCJIIII-CABCVRRESA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001441739534 1182142647 /nfs/dbraw/zinc/14/26/47/1182142647.db2.gz FIEOYURRDPPVPW-UHFFFAOYSA-N 2 2 310.829 2.043 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@@H]1C ZINC001444157240 1183303058 /nfs/dbraw/zinc/30/30/58/1183303058.db2.gz QWJLLKCOQUFTDK-LRDDRELGSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001449060746 1185512684 /nfs/dbraw/zinc/51/26/84/1185512684.db2.gz LJPAQGQQVDSKAL-CABCVRRESA-N 2 2 324.856 2.290 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455494 782722534 /nfs/dbraw/zinc/72/25/34/782722534.db2.gz WNRFCVRIMLUMEE-RHSMWYFYSA-N 2 2 313.445 2.328 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449804 783139789 /nfs/dbraw/zinc/13/97/89/783139789.db2.gz KGOIHVFYEKMAQJ-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449804 783139791 /nfs/dbraw/zinc/13/97/91/783139791.db2.gz KGOIHVFYEKMAQJ-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001088329559 779965092 /nfs/dbraw/zinc/96/50/92/779965092.db2.gz AQECGAGUPPFYTF-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001088329559 779965100 /nfs/dbraw/zinc/96/51/00/779965100.db2.gz AQECGAGUPPFYTF-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001088418616 780096271 /nfs/dbraw/zinc/09/62/71/780096271.db2.gz UMWKFZGWDBVWBS-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537058 780393004 /nfs/dbraw/zinc/39/30/04/780393004.db2.gz NSIANOBNMMGYOD-BQFCYCMXSA-N 2 2 316.449 2.239 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100933869 780466743 /nfs/dbraw/zinc/46/67/43/780466743.db2.gz AZWSSGUEIPJOAB-FHERZECASA-N 2 2 318.465 2.192 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905481 784200749 /nfs/dbraw/zinc/20/07/49/784200749.db2.gz GWOSDAPAVVFMCG-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905481 784200752 /nfs/dbraw/zinc/20/07/52/784200752.db2.gz GWOSDAPAVVFMCG-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171218442 791014290 /nfs/dbraw/zinc/01/42/90/791014290.db2.gz VKBVPQQWWQBBGA-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171218442 791014298 /nfs/dbraw/zinc/01/42/98/791014298.db2.gz VKBVPQQWWQBBGA-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171218442 791014305 /nfs/dbraw/zinc/01/43/05/791014305.db2.gz VKBVPQQWWQBBGA-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171218442 791014314 /nfs/dbraw/zinc/01/43/14/791014314.db2.gz VKBVPQQWWQBBGA-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475309 784768035 /nfs/dbraw/zinc/76/80/35/784768035.db2.gz RWWMYPJUUQJFQQ-JHJVBQTASA-N 2 2 322.840 2.067 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008084353 785101277 /nfs/dbraw/zinc/10/12/77/785101277.db2.gz ABCGGXMDYAEUPY-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008084353 785101289 /nfs/dbraw/zinc/10/12/89/785101289.db2.gz ABCGGXMDYAEUPY-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671344 785481227 /nfs/dbraw/zinc/48/12/27/785481227.db2.gz NDIKBHUPRQQMEA-XHSDSOJGSA-N 2 2 316.449 2.278 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132368640 788044120 /nfs/dbraw/zinc/04/41/20/788044120.db2.gz PAEKODLNXGJECK-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132368640 788044127 /nfs/dbraw/zinc/04/41/27/788044127.db2.gz PAEKODLNXGJECK-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919689 788228009 /nfs/dbraw/zinc/22/80/09/788228009.db2.gz MQCJIQHZIBJBAL-ZBFHGGJFSA-N 2 2 324.428 2.274 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021724 788254297 /nfs/dbraw/zinc/25/42/97/788254297.db2.gz SVNMNZKURYOOCV-SJORKVTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021574 788254334 /nfs/dbraw/zinc/25/43/34/788254334.db2.gz QTHSVLMUSJLKSE-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403217 788903910 /nfs/dbraw/zinc/90/39/10/788903910.db2.gz LENWDIOUCNCFGL-HUUCEWRRSA-N 2 2 318.465 2.211 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730009 789053053 /nfs/dbraw/zinc/05/30/53/789053053.db2.gz RQJZBROMTZUTJV-ZIAGYGMSSA-N 2 2 306.454 2.376 20 30 DEEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170782737 789148515 /nfs/dbraw/zinc/14/85/15/789148515.db2.gz BXSORCBXYDDASM-CQSZACIVSA-N 2 2 312.417 2.154 20 30 DEEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680520 789443922 /nfs/dbraw/zinc/44/39/22/789443922.db2.gz WSHYAPJRUSNHFS-HUUCEWRRSA-N 2 2 314.433 2.244 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263728 792154689 /nfs/dbraw/zinc/15/46/89/792154689.db2.gz IWCCIUVWNNTTJX-GDBMZVCRSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263728 792154691 /nfs/dbraw/zinc/15/46/91/792154691.db2.gz IWCCIUVWNNTTJX-GDBMZVCRSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605424 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KTPDPKNZPUHHLC-HWWDLCQESA-N 2 2 318.465 2.277 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864576 795014339 /nfs/dbraw/zinc/01/43/39/795014339.db2.gz KFVNVRYZDFCMFE-INIZCTEOSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120069194 795401605 /nfs/dbraw/zinc/40/16/05/795401605.db2.gz XAEMDFJWCTWGEG-UHFFFAOYSA-N 2 2 304.438 2.245 20 30 DEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212667 795603929 /nfs/dbraw/zinc/60/39/29/795603929.db2.gz QMGXBLPLONKQGH-UHFFFAOYSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212667 795603931 /nfs/dbraw/zinc/60/39/31/795603931.db2.gz QMGXBLPLONKQGH-UHFFFAOYSA-N 2 2 316.449 2.326 20 30 DEEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116371 795606300 /nfs/dbraw/zinc/60/63/00/795606300.db2.gz RIMLKJRUCJKWTM-DNVCBOLYSA-N 2 2 324.428 2.045 20 30 DEEDLP 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C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265706616 1144732370 /nfs/dbraw/zinc/73/23/70/1144732370.db2.gz XTJTWBIJBZLSBK-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265706616 1144732375 /nfs/dbraw/zinc/73/23/75/1144732375.db2.gz XTJTWBIJBZLSBK-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001280446598 1144840151 /nfs/dbraw/zinc/84/01/51/1144840151.db2.gz NQWWHPIXCWEIHS-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001281967146 1144925632 /nfs/dbraw/zinc/92/56/32/1144925632.db2.gz CFGYJGDTZZLLPV-OAHLLOKOSA-N 2 2 304.438 2.150 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001281967146 1144925633 /nfs/dbraw/zinc/92/56/33/1144925633.db2.gz CFGYJGDTZZLLPV-OAHLLOKOSA-N 2 2 304.438 2.150 20 30 DEEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001282724126 1145146634 /nfs/dbraw/zinc/14/66/34/1145146634.db2.gz DHYUPEHJOSBWLO-AWEZNQCLSA-N 2 2 317.433 2.035 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317060643 1147654561 /nfs/dbraw/zinc/65/45/61/1147654561.db2.gz FYPDQFFJXMWNCR-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317060643 1147654563 /nfs/dbraw/zinc/65/45/63/1147654563.db2.gz FYPDQFFJXMWNCR-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001317355226 1147695126 /nfs/dbraw/zinc/69/51/26/1147695126.db2.gz LSCFZOXRIUAPEP-MRXNPFEDSA-N 2 2 304.438 2.068 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317367577 1147697092 /nfs/dbraw/zinc/69/70/92/1147697092.db2.gz XYZMDZRRFTXAFX-HOTGVXAUSA-N 2 2 304.438 2.256 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805105 1147754333 /nfs/dbraw/zinc/75/43/33/1147754333.db2.gz ILICHTRKQWAMJK-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805105 1147754334 /nfs/dbraw/zinc/75/43/34/1147754334.db2.gz ILICHTRKQWAMJK-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001324746269 1147839585 /nfs/dbraw/zinc/83/95/85/1147839585.db2.gz AAQWTPPYNSNAGV-MRXNPFEDSA-N 2 2 303.406 2.148 20 30 DEEDLP Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)c(C#N)c[nH+]1 ZINC000596437850 358686762 /nfs/dbraw/zinc/68/67/62/358686762.db2.gz YGZAGSYOUXSTJV-UHFFFAOYSA-N 2 2 321.428 2.403 20 30 DEEDLP Cc1[nH+]cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1C ZINC000596988505 358801521 /nfs/dbraw/zinc/80/15/21/358801521.db2.gz YFWLCFZZSKNCPU-UHFFFAOYSA-N 2 2 309.417 2.313 20 30 DEEDLP Cc1[nH+]cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1C ZINC000596988505 358801527 /nfs/dbraw/zinc/80/15/27/358801527.db2.gz YFWLCFZZSKNCPU-UHFFFAOYSA-N 2 2 309.417 2.313 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157812 361285404 /nfs/dbraw/zinc/28/54/04/361285404.db2.gz YSFYLPHAPHGNCC-ZBFHGGJFSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157812 361285411 /nfs/dbraw/zinc/28/54/11/361285411.db2.gz YSFYLPHAPHGNCC-ZBFHGGJFSA-N 2 2 323.400 2.419 20 30 DEEDLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329877614 404479932 /nfs/dbraw/zinc/47/99/32/404479932.db2.gz JNWYPCORQBBIKX-UHFFFAOYSA-N 2 2 320.437 2.334 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843238 401911660 /nfs/dbraw/zinc/91/16/60/401911660.db2.gz PLQBDCQIPNXNDL-LSDHHAIUSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843238 401911663 /nfs/dbraw/zinc/91/16/63/401911663.db2.gz PLQBDCQIPNXNDL-LSDHHAIUSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843238 401911665 /nfs/dbraw/zinc/91/16/65/401911665.db2.gz PLQBDCQIPNXNDL-LSDHHAIUSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843238 401911667 /nfs/dbraw/zinc/91/16/67/401911667.db2.gz PLQBDCQIPNXNDL-LSDHHAIUSA-N 2 2 314.433 2.159 20 30 DEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccs1 ZINC000050274481 402026556 /nfs/dbraw/zinc/02/65/56/402026556.db2.gz VVANFGPBIJYUKR-UHFFFAOYSA-N 2 2 321.490 2.337 20 30 DEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccs1 ZINC000050274481 402026560 /nfs/dbraw/zinc/02/65/60/402026560.db2.gz VVANFGPBIJYUKR-UHFFFAOYSA-N 2 2 321.490 2.337 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000153188716 402131935 /nfs/dbraw/zinc/13/19/35/402131935.db2.gz AGEBJSCVKXMVGH-DLBZAZTESA-N 2 2 316.445 2.318 20 30 DEEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000190784824 402622811 /nfs/dbraw/zinc/62/28/11/402622811.db2.gz WSJBFTUSGSKBOO-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C[NH+]1CCOCC1 ZINC000181781679 402657326 /nfs/dbraw/zinc/65/73/26/402657326.db2.gz OFJGGUHOLHMRGD-HOTGVXAUSA-N 2 2 317.433 2.208 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265480329 402922571 /nfs/dbraw/zinc/92/25/71/402922571.db2.gz KRRSXNNAHHUHNC-ZDUSSCGKSA-N 2 2 323.400 2.488 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265483073 402923340 /nfs/dbraw/zinc/92/33/40/402923340.db2.gz LITYUNFIYRVABQ-UHFFFAOYSA-N 2 2 323.400 2.490 20 30 DEEDLP CC[NH+](CC)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285834993 403390599 /nfs/dbraw/zinc/39/05/99/403390599.db2.gz XCYOWEMEUIVEKL-UHFFFAOYSA-N 2 2 300.450 2.458 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000286144256 403459189 /nfs/dbraw/zinc/45/91/89/403459189.db2.gz PDBRIYCEKZYKPF-LSDHHAIUSA-N 2 2 305.422 2.216 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000286144256 403459192 /nfs/dbraw/zinc/45/91/92/403459192.db2.gz PDBRIYCEKZYKPF-LSDHHAIUSA-N 2 2 305.422 2.216 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000294992685 403740153 /nfs/dbraw/zinc/74/01/53/403740153.db2.gz LMDAXLWRYXFKTK-KRWDZBQOSA-N 2 2 302.418 2.454 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000294992685 403740158 /nfs/dbraw/zinc/74/01/58/403740158.db2.gz LMDAXLWRYXFKTK-KRWDZBQOSA-N 2 2 302.418 2.454 20 30 DEEDLP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1C#N ZINC000324274009 404101064 /nfs/dbraw/zinc/10/10/64/404101064.db2.gz LTTVUSXYIQRGIG-ZWKOTPCHSA-N 2 2 307.397 2.494 20 30 DEEDLP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1C#N ZINC000324274009 404101067 /nfs/dbraw/zinc/10/10/67/404101067.db2.gz LTTVUSXYIQRGIG-ZWKOTPCHSA-N 2 2 307.397 2.494 20 30 DEEDLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1C#N ZINC000415040556 404793381 /nfs/dbraw/zinc/79/33/81/404793381.db2.gz KEZLDAICJNGCTH-ZWKOTPCHSA-N 2 2 307.397 2.412 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CC(F)F)CC2)cc1 ZINC000361436285 405074634 /nfs/dbraw/zinc/07/46/34/405074634.db2.gz UDOXURMLKRLAOA-INIZCTEOSA-N 2 2 323.387 2.128 20 30 DEEDLP C=CC[N@@H+](CCOC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919897 405405151 /nfs/dbraw/zinc/40/51/51/405405151.db2.gz IUHWSWMSVYUABT-UHFFFAOYSA-N 2 2 304.434 2.153 20 30 DEEDLP C=CC[N@H+](CCOC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919897 405405152 /nfs/dbraw/zinc/40/51/52/405405152.db2.gz IUHWSWMSVYUABT-UHFFFAOYSA-N 2 2 304.434 2.153 20 30 DEEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000561945212 405952346 /nfs/dbraw/zinc/95/23/46/405952346.db2.gz NILLLAMFOJFFBH-HNNXBMFYSA-N 2 2 321.490 2.112 20 30 DEEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000561945212 405952358 /nfs/dbraw/zinc/95/23/58/405952358.db2.gz NILLLAMFOJFFBH-HNNXBMFYSA-N 2 2 321.490 2.112 20 30 DEEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000561945212 405952368 /nfs/dbraw/zinc/95/23/68/405952368.db2.gz NILLLAMFOJFFBH-HNNXBMFYSA-N 2 2 321.490 2.112 20 30 DEEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000561945212 405952378 /nfs/dbraw/zinc/95/23/78/405952378.db2.gz NILLLAMFOJFFBH-HNNXBMFYSA-N 2 2 321.490 2.112 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069151 406249838 /nfs/dbraw/zinc/24/98/38/406249838.db2.gz WADRPTNINAQQGM-HIFRSBDPSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069151 406249842 /nfs/dbraw/zinc/24/98/42/406249842.db2.gz WADRPTNINAQQGM-HIFRSBDPSA-N 2 2 323.400 2.108 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000490948637 406510970 /nfs/dbraw/zinc/51/09/70/406510970.db2.gz GGIAGUKYLNELEE-UHFFFAOYSA-N 2 2 322.412 2.038 20 30 DEEDLP Cc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)oc1C ZINC000267041561 225344166 /nfs/dbraw/zinc/34/41/66/225344166.db2.gz ZBTPYQIXCWEFKA-UHFFFAOYSA-N 2 2 302.378 2.190 20 30 DEEDLP C=CCCn1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000657314202 425302820 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20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658536 802998717 /nfs/dbraw/zinc/99/87/17/802998717.db2.gz GPBYZBAEGSYMCZ-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227072927 803196858 /nfs/dbraw/zinc/19/68/58/803196858.db2.gz BRKRRLDLOHNSKY-HZPDHXFCSA-N 2 2 310.401 2.217 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1CC ZINC001417822930 1167236809 /nfs/dbraw/zinc/23/68/09/1167236809.db2.gz MOFFLXTWMJGIDD-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1CC ZINC001417822930 1167236817 /nfs/dbraw/zinc/23/68/17/1167236817.db2.gz MOFFLXTWMJGIDD-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001500381791 1058737555 /nfs/dbraw/zinc/73/75/55/1058737555.db2.gz FIIGWIKMMDPCIR-RDJZCZTQSA-N 2 2 304.438 2.239 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001501625720 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N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001254345140 1143086196 /nfs/dbraw/zinc/08/61/96/1143086196.db2.gz SGYRAMIDNOVRQN-ADKAHSJRSA-N 2 2 317.408 2.189 20 30 DEEDLP C=CCCC[C@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001341541398 1143625136 /nfs/dbraw/zinc/62/51/36/1143625136.db2.gz ZGMIKCFTKYOYKA-KRWDZBQOSA-N 2 2 312.417 2.231 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255968823 1143817989 /nfs/dbraw/zinc/81/79/89/1143817989.db2.gz KBAIXCNNIZPVCO-HOTGVXAUSA-N 2 2 311.470 2.483 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255968823 1143817991 /nfs/dbraw/zinc/81/79/91/1143817991.db2.gz KBAIXCNNIZPVCO-HOTGVXAUSA-N 2 2 311.470 2.483 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088996 1144640695 /nfs/dbraw/zinc/64/06/95/1144640695.db2.gz IMEBMHPPIIXQDX-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265288589 1144683909 /nfs/dbraw/zinc/68/39/09/1144683909.db2.gz WYLULZICGVGFJR-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265288589 1144683916 /nfs/dbraw/zinc/68/39/16/1144683916.db2.gz WYLULZICGVGFJR-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265288589 1144683919 /nfs/dbraw/zinc/68/39/19/1144683919.db2.gz WYLULZICGVGFJR-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265288589 1144683924 /nfs/dbraw/zinc/68/39/24/1144683924.db2.gz WYLULZICGVGFJR-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265683654 1144726947 /nfs/dbraw/zinc/72/69/47/1144726947.db2.gz DUVCHCSCCZOWCX-HZPDHXFCSA-N 2 2 304.438 2.381 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001265775459 1144739983 /nfs/dbraw/zinc/73/99/83/1144739983.db2.gz QYCOOWPKWHSMBL-CYBMUJFWSA-N 2 2 300.406 2.317 20 30 DEEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001280369896 1144837009 /nfs/dbraw/zinc/83/70/09/1144837009.db2.gz NMWLZDBZINAMGO-SHTZXODSSA-N 2 2 312.417 2.399 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001283939948 1145719138 /nfs/dbraw/zinc/71/91/38/1145719138.db2.gz OXYASSXFUAVNOI-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284031585 1145760801 /nfs/dbraw/zinc/76/08/01/1145760801.db2.gz KSSUUMBWXYZAEF-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966904 1147024996 /nfs/dbraw/zinc/02/49/96/1147024996.db2.gz JUKWIYWCGKYLDE-JKSUJKDBSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966904 1147025002 /nfs/dbraw/zinc/02/50/02/1147025002.db2.gz JUKWIYWCGKYLDE-JKSUJKDBSA-N 2 2 304.438 2.161 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001316786477 1147599567 /nfs/dbraw/zinc/59/95/67/1147599567.db2.gz LTFJATHNNLYINV-IKGGRYGDSA-N 2 2 316.449 2.073 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001316786477 1147599571 /nfs/dbraw/zinc/59/95/71/1147599571.db2.gz LTFJATHNNLYINV-IKGGRYGDSA-N 2 2 316.449 2.073 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317060072 1147654514 /nfs/dbraw/zinc/65/45/14/1147654514.db2.gz UBSDFRYFVODDBK-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317447584 1147710204 /nfs/dbraw/zinc/71/02/04/1147710204.db2.gz ZILBPRKPDKXZHH-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317447584 1147710206 /nfs/dbraw/zinc/71/02/06/1147710206.db2.gz ZILBPRKPDKXZHH-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=C(C)C[NH2+]C1CC[NH+](CCNC(=O)/C=C\c2ccco2)CC1 ZINC001325784808 1147999569 /nfs/dbraw/zinc/99/95/69/1147999569.db2.gz YPVBADFMRXJRFV-WAYWQWQTSA-N 2 2 317.433 2.039 20 30 DEEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001325870774 1148011938 /nfs/dbraw/zinc/01/19/38/1148011938.db2.gz JPASMPZXCJFIAP-QGZVFWFLSA-N 2 2 314.433 2.351 20 30 DEEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001325870774 1148011940 /nfs/dbraw/zinc/01/19/40/1148011940.db2.gz JPASMPZXCJFIAP-QGZVFWFLSA-N 2 2 314.433 2.351 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001326726438 1148221350 /nfs/dbraw/zinc/22/13/50/1148221350.db2.gz XIWUGFVYQSZUAX-OAHLLOKOSA-N 2 2 312.417 2.495 20 30 DEEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000173617478 198232669 /nfs/dbraw/zinc/23/26/69/198232669.db2.gz KGAOWWSMHHVAST-AWEZNQCLSA-N 2 2 314.433 2.348 20 30 DEEDLP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000174279005 198314696 /nfs/dbraw/zinc/31/46/96/198314696.db2.gz CQQVDOOVRDEHIJ-UHFFFAOYSA-N 2 2 311.385 2.273 20 30 DEEDLP N#Cc1sccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000595630577 358506725 /nfs/dbraw/zinc/50/67/25/358506725.db2.gz FMIWOILDAATONE-UHFFFAOYSA-N 2 2 301.419 2.029 20 30 DEEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000579701884 357017309 /nfs/dbraw/zinc/01/73/09/357017309.db2.gz OBKRMBBDDNDGFP-UNEWFSDZSA-N 2 2 316.424 2.254 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000590779010 357610647 /nfs/dbraw/zinc/61/06/47/357610647.db2.gz JBGUFSNVUMSABF-HKUYNNGSSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000590779010 357610653 /nfs/dbraw/zinc/61/06/53/357610653.db2.gz JBGUFSNVUMSABF-HKUYNNGSSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000591579396 357738044 /nfs/dbraw/zinc/73/80/44/357738044.db2.gz XTWFRVWTQOLAAF-IBGZPJMESA-N 3 2 324.472 2.254 20 30 DEEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000591724809 357754394 /nfs/dbraw/zinc/75/43/94/357754394.db2.gz FFDSZAPCJMEHKV-IBGZPJMESA-N 2 2 309.413 2.141 20 30 DEEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000591724809 357754398 /nfs/dbraw/zinc/75/43/98/357754398.db2.gz FFDSZAPCJMEHKV-IBGZPJMESA-N 2 2 309.413 2.141 20 30 DEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000595100822 358389447 /nfs/dbraw/zinc/38/94/47/358389447.db2.gz JEEZXKUJENTHPG-MJGOQNOKSA-N 2 2 311.429 2.388 20 30 DEEDLP C=CCOc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668741436 540723155 /nfs/dbraw/zinc/72/31/55/540723155.db2.gz SZTPRRXJGSYKFR-SFHVURJKSA-N 2 2 316.445 2.282 20 30 DEEDLP C=CCOc1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668741436 540723156 /nfs/dbraw/zinc/72/31/56/540723156.db2.gz SZTPRRXJGSYKFR-SFHVURJKSA-N 2 2 316.445 2.282 20 30 DEEDLP CC1(C#N)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602806639 360564566 /nfs/dbraw/zinc/56/45/66/360564566.db2.gz NRYQMTODXLVURV-IBGZPJMESA-N 2 2 313.445 2.249 20 30 DEEDLP CC1(C#N)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602806639 360564570 /nfs/dbraw/zinc/56/45/70/360564570.db2.gz NRYQMTODXLVURV-IBGZPJMESA-N 2 2 313.445 2.249 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793808 194285197 /nfs/dbraw/zinc/28/51/97/194285197.db2.gz UERHBYXULTYPPH-UHFFFAOYSA-N 2 2 323.400 2.420 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682361508 542287809 /nfs/dbraw/zinc/28/78/09/542287809.db2.gz ZVQHQUVOJMWTPJ-AEFFLSMTSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682361508 542287813 /nfs/dbraw/zinc/28/78/13/542287813.db2.gz ZVQHQUVOJMWTPJ-AEFFLSMTSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133459303 401887025 /nfs/dbraw/zinc/88/70/25/401887025.db2.gz IKMGYIVONIDENA-QGZVFWFLSA-N 2 2 300.450 2.102 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133459303 401887027 /nfs/dbraw/zinc/88/70/27/401887027.db2.gz IKMGYIVONIDENA-QGZVFWFLSA-N 2 2 300.450 2.102 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000153188821 402131578 /nfs/dbraw/zinc/13/15/78/402131578.db2.gz AGEBJSCVKXMVGH-IAGOWNOFSA-N 2 2 316.445 2.318 20 30 DEEDLP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186498858 402436159 /nfs/dbraw/zinc/43/61/59/402436159.db2.gz FODQCAHMJMWFMA-PHXNAMCJSA-N 2 2 313.445 2.439 20 30 DEEDLP C=CCNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887372 402803434 /nfs/dbraw/zinc/80/34/34/402803434.db2.gz AJYKGSMNYMLDLW-ZDUSSCGKSA-N 2 2 314.355 2.398 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861750 403095268 /nfs/dbraw/zinc/09/52/68/403095268.db2.gz UMEOHZOAUIXOKY-XYJFISCASA-N 2 2 315.461 2.177 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861750 403095270 /nfs/dbraw/zinc/09/52/70/403095270.db2.gz UMEOHZOAUIXOKY-XYJFISCASA-N 2 2 315.461 2.177 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070478 403750601 /nfs/dbraw/zinc/75/06/01/403750601.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070478 403750603 /nfs/dbraw/zinc/75/06/03/403750603.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070478 403750608 /nfs/dbraw/zinc/75/06/08/403750608.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070478 403750613 /nfs/dbraw/zinc/75/06/13/403750613.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329484884 404352218 /nfs/dbraw/zinc/35/22/18/404352218.db2.gz SLWBLMSAYGZAGW-OAHLLOKOSA-N 2 2 319.453 2.378 20 30 DEEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329484884 404352226 /nfs/dbraw/zinc/35/22/26/404352226.db2.gz SLWBLMSAYGZAGW-OAHLLOKOSA-N 2 2 319.453 2.378 20 30 DEEDLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780886 404450704 /nfs/dbraw/zinc/45/07/04/404450704.db2.gz SEKBGKORIGJFHQ-OAGGEKHMSA-N 2 2 319.453 2.133 20 30 DEEDLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780886 404450710 /nfs/dbraw/zinc/45/07/10/404450710.db2.gz SEKBGKORIGJFHQ-OAGGEKHMSA-N 2 2 319.453 2.133 20 30 DEEDLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780886 404450714 /nfs/dbraw/zinc/45/07/14/404450714.db2.gz SEKBGKORIGJFHQ-OAGGEKHMSA-N 2 2 319.453 2.133 20 30 DEEDLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780886 404450722 /nfs/dbraw/zinc/45/07/22/404450722.db2.gz SEKBGKORIGJFHQ-OAGGEKHMSA-N 2 2 319.453 2.133 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361084396 404910527 /nfs/dbraw/zinc/91/05/27/404910527.db2.gz AODXDSLHHBFCOE-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000361217510 404978244 /nfs/dbraw/zinc/97/82/44/404978244.db2.gz RQZIIJHTNQJANI-UHFFFAOYSA-N 2 2 314.477 2.286 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420302428 405311814 /nfs/dbraw/zinc/31/18/14/405311814.db2.gz GBKWZFCFYQPKOT-UAGQMJEPSA-N 2 2 301.434 2.143 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420302428 405311815 /nfs/dbraw/zinc/31/18/15/405311815.db2.gz GBKWZFCFYQPKOT-UAGQMJEPSA-N 2 2 301.434 2.143 20 30 DEEDLP C=C(C)C(C)(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195163 406049786 /nfs/dbraw/zinc/04/97/86/406049786.db2.gz UODMXPLDAWBXSN-UHFFFAOYSA-N 2 2 302.422 2.374 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000570389055 406385659 /nfs/dbraw/zinc/38/56/59/406385659.db2.gz MIQRFHGCYPQWRP-UHFFFAOYSA-N 3 2 310.445 2.032 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000491209577 406544651 /nfs/dbraw/zinc/54/46/51/406544651.db2.gz IZCGAIULMJCBHZ-CYBMUJFWSA-N 2 2 308.397 2.449 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000491209577 406544654 /nfs/dbraw/zinc/54/46/54/406544654.db2.gz IZCGAIULMJCBHZ-CYBMUJFWSA-N 2 2 308.397 2.449 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635530706 406576454 /nfs/dbraw/zinc/57/64/54/406576454.db2.gz JNKWOOXAADADBO-UHFFFAOYSA-N 2 2 312.417 2.413 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000491646322 406648749 /nfs/dbraw/zinc/64/87/49/406648749.db2.gz STNYKBMUMOEXBK-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000491646322 406648754 /nfs/dbraw/zinc/64/87/54/406648754.db2.gz STNYKBMUMOEXBK-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)cc1 ZINC000527787470 406751123 /nfs/dbraw/zinc/75/11/23/406751123.db2.gz CRDXAZQIUXRRGR-UHFFFAOYSA-N 2 2 311.429 2.291 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000248730640 225239873 /nfs/dbraw/zinc/23/98/73/225239873.db2.gz DEICBOMFVQUDSO-HCXYKTFWSA-N 2 2 313.445 2.294 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000248730640 225239876 /nfs/dbraw/zinc/23/98/76/225239876.db2.gz DEICBOMFVQUDSO-HCXYKTFWSA-N 2 2 313.445 2.294 20 30 DEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337220357 226132707 /nfs/dbraw/zinc/13/27/07/226132707.db2.gz DBLXVGZHBAVCHU-MRXNPFEDSA-N 2 2 320.481 2.135 20 30 DEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337220357 226132711 /nfs/dbraw/zinc/13/27/11/226132711.db2.gz DBLXVGZHBAVCHU-MRXNPFEDSA-N 2 2 320.481 2.135 20 30 DEEDLP CC(=O)c1ccc(C#N)c(NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664248485 425344574 /nfs/dbraw/zinc/34/45/74/425344574.db2.gz YQHOFKUPHAIWQT-UHFFFAOYSA-N 2 2 302.422 2.056 20 30 DEEDLP CC(=O)c1ccc(C#N)c(NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664248485 425344575 /nfs/dbraw/zinc/34/45/75/425344575.db2.gz YQHOFKUPHAIWQT-UHFFFAOYSA-N 2 2 302.422 2.056 20 30 DEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1sccc1C ZINC000262454902 526387821 /nfs/dbraw/zinc/38/78/21/526387821.db2.gz WPWSXWRRRCXLRD-UHFFFAOYSA-N 2 2 317.462 2.455 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246227555 526537503 /nfs/dbraw/zinc/53/75/03/526537503.db2.gz RQZAIEKEHIHMPK-SJORKVTESA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246227555 526537506 /nfs/dbraw/zinc/53/75/06/526537506.db2.gz RQZAIEKEHIHMPK-SJORKVTESA-N 2 2 307.482 2.217 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370004434 527146663 /nfs/dbraw/zinc/14/66/63/527146663.db2.gz FJPCAXUHIXQERV-DOTOQJQBSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370004434 527146669 /nfs/dbraw/zinc/14/66/69/527146669.db2.gz FJPCAXUHIXQERV-DOTOQJQBSA-N 2 2 322.497 2.151 20 30 DEEDLP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000263236865 528812691 /nfs/dbraw/zinc/81/26/91/528812691.db2.gz JYGRSTLJANVLEV-LBPRGKRZSA-N 2 2 306.479 2.212 20 30 DEEDLP CC[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000263236865 528812694 /nfs/dbraw/zinc/81/26/94/528812694.db2.gz JYGRSTLJANVLEV-LBPRGKRZSA-N 2 2 306.479 2.212 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007518798 625281226 /nfs/dbraw/zinc/28/12/26/625281226.db2.gz DWBHEQYKTGWUQD-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007518798 625281227 /nfs/dbraw/zinc/28/12/27/625281227.db2.gz DWBHEQYKTGWUQD-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007518798 625281230 /nfs/dbraw/zinc/28/12/30/625281230.db2.gz DWBHEQYKTGWUQD-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007518798 625281232 /nfs/dbraw/zinc/28/12/32/625281232.db2.gz DWBHEQYKTGWUQD-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225222 625282656 /nfs/dbraw/zinc/28/26/56/625282656.db2.gz CDYZICPLGNGSII-HZPDHXFCSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225222 625282666 /nfs/dbraw/zinc/28/26/66/625282666.db2.gz CDYZICPLGNGSII-HZPDHXFCSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303543 625329547 /nfs/dbraw/zinc/32/95/47/625329547.db2.gz IHXHNLIDAWTPDI-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303543 625329548 /nfs/dbraw/zinc/32/95/48/625329548.db2.gz IHXHNLIDAWTPDI-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445090 625270418 /nfs/dbraw/zinc/27/04/18/625270418.db2.gz GBIRUFMWOVVULP-CQSZACIVSA-N 2 2 310.401 2.028 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445090 625270424 /nfs/dbraw/zinc/27/04/24/625270424.db2.gz GBIRUFMWOVVULP-CQSZACIVSA-N 2 2 310.401 2.028 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647146 625949052 /nfs/dbraw/zinc/94/90/52/625949052.db2.gz JQMJFYLZHOVQTB-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[NH2+][C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996475875 633265362 /nfs/dbraw/zinc/26/53/62/633265362.db2.gz PCEDKSDBPGIVFI-KRWDZBQOSA-N 2 2 324.428 2.499 20 30 DEEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997671752 633924525 /nfs/dbraw/zinc/92/45/25/633924525.db2.gz BGCLMUDZVWGTTI-HNNXBMFYSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509726 633937532 /nfs/dbraw/zinc/93/75/32/633937532.db2.gz HCODHZQAYBAXCU-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509726 633937535 /nfs/dbraw/zinc/93/75/35/633937535.db2.gz HCODHZQAYBAXCU-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000981380205 635460211 /nfs/dbraw/zinc/46/02/11/635460211.db2.gz FTGVQPSYAUESGG-HUUCEWRRSA-N 2 2 302.422 2.014 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000981380205 635460213 /nfs/dbraw/zinc/46/02/13/635460213.db2.gz FTGVQPSYAUESGG-HUUCEWRRSA-N 2 2 302.422 2.014 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000981380205 635460216 /nfs/dbraw/zinc/46/02/16/635460216.db2.gz FTGVQPSYAUESGG-HUUCEWRRSA-N 2 2 302.422 2.014 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000981380205 635460220 /nfs/dbraw/zinc/46/02/20/635460220.db2.gz FTGVQPSYAUESGG-HUUCEWRRSA-N 2 2 302.422 2.014 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118292 635876525 /nfs/dbraw/zinc/87/65/25/635876525.db2.gz METQDZHWCGFYHS-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118292 635876529 /nfs/dbraw/zinc/87/65/29/635876529.db2.gz METQDZHWCGFYHS-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001003068114 635898187 /nfs/dbraw/zinc/89/81/87/635898187.db2.gz OUWNFHHJSPURRQ-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001003068114 635898193 /nfs/dbraw/zinc/89/81/93/635898193.db2.gz OUWNFHHJSPURRQ-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C#CCC[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001003894980 636075956 /nfs/dbraw/zinc/07/59/56/636075956.db2.gz CKHTZLWPWFKIRD-UHFFFAOYSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004578344 636492563 /nfs/dbraw/zinc/49/25/63/636492563.db2.gz JGAPVOQMDKCMGO-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004578344 636492567 /nfs/dbraw/zinc/49/25/67/636492567.db2.gz JGAPVOQMDKCMGO-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004586461 636494530 /nfs/dbraw/zinc/49/45/30/636494530.db2.gz TUEOYGXXVGTWIC-MRXNPFEDSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004586461 636494532 /nfs/dbraw/zinc/49/45/32/636494532.db2.gz TUEOYGXXVGTWIC-MRXNPFEDSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632438 636520868 /nfs/dbraw/zinc/52/08/68/636520868.db2.gz JGPYPHLFECBJML-LBPRGKRZSA-N 2 2 318.808 2.367 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632438 636520870 /nfs/dbraw/zinc/52/08/70/636520870.db2.gz JGPYPHLFECBJML-LBPRGKRZSA-N 2 2 318.808 2.367 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005587094 636790110 /nfs/dbraw/zinc/79/01/10/636790110.db2.gz CMBLYKCDLNLDQA-OAHLLOKOSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005587094 636790116 /nfs/dbraw/zinc/79/01/16/636790116.db2.gz CMBLYKCDLNLDQA-OAHLLOKOSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C1CCC(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000896004920 638304766 /nfs/dbraw/zinc/30/47/66/638304766.db2.gz SZVQXSPVKDNIQJ-UHFFFAOYSA-N 2 2 319.493 2.408 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643687 639557609 /nfs/dbraw/zinc/55/76/09/639557609.db2.gz SXDZVVYDRQPPNU-HNNXBMFYSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643687 639557614 /nfs/dbraw/zinc/55/76/14/639557614.db2.gz SXDZVVYDRQPPNU-HNNXBMFYSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000985755455 639617940 /nfs/dbraw/zinc/61/79/40/639617940.db2.gz KBRJVUUCVOVFTR-UHFFFAOYSA-N 2 2 304.438 2.186 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000985755455 639617941 /nfs/dbraw/zinc/61/79/41/639617941.db2.gz KBRJVUUCVOVFTR-UHFFFAOYSA-N 2 2 304.438 2.186 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000986608673 639953044 /nfs/dbraw/zinc/95/30/44/639953044.db2.gz JADQOFNXRFLHMK-YOEHRIQHSA-N 2 2 310.401 2.251 20 30 DEEDLP C#CCCCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000780446624 642626780 /nfs/dbraw/zinc/62/67/80/642626780.db2.gz MZZMTSIWELRXFG-UHFFFAOYSA-N 2 2 319.493 2.245 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC[C@@H]2CCOC2)cc1 ZINC000842649632 650795380 /nfs/dbraw/zinc/79/53/80/650795380.db2.gz QFENSYNWWJUZMY-OAHLLOKOSA-N 2 2 305.422 2.202 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000813421529 646769250 /nfs/dbraw/zinc/76/92/50/646769250.db2.gz HRJPJYZQZCXPRW-LBPRGKRZSA-N 2 2 322.478 2.431 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000813421529 646769252 /nfs/dbraw/zinc/76/92/52/646769252.db2.gz HRJPJYZQZCXPRW-LBPRGKRZSA-N 2 2 322.478 2.431 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC000992875889 647311753 /nfs/dbraw/zinc/31/17/53/647311753.db2.gz UEYNQVKTVKNZJI-HRCADAONSA-N 2 2 316.449 2.053 20 30 DEEDLP C#CCCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656945 647337115 /nfs/dbraw/zinc/33/71/15/647337115.db2.gz RJFWLDYHOUNKPS-UHFFFAOYSA-N 2 2 319.493 2.199 20 30 DEEDLP C#CCCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656945 647337131 /nfs/dbraw/zinc/33/71/31/647337131.db2.gz RJFWLDYHOUNKPS-UHFFFAOYSA-N 2 2 319.493 2.199 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993353080 647624772 /nfs/dbraw/zinc/62/47/72/647624772.db2.gz QPUGEKBTIZGZFZ-WBVHZDCISA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993353080 647624773 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ZINC001015425700 787046338 /nfs/dbraw/zinc/04/63/38/787046338.db2.gz DTQVFDMHGMICHS-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015425700 787046349 /nfs/dbraw/zinc/04/63/49/787046349.db2.gz DTQVFDMHGMICHS-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407630 787378295 /nfs/dbraw/zinc/37/82/95/787378295.db2.gz VLHOKZTYFDXEPA-HNNXBMFYSA-N 2 2 306.454 2.122 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436520 788075042 /nfs/dbraw/zinc/07/50/42/788075042.db2.gz LPSAYORMVMAJKR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132436520 788075049 /nfs/dbraw/zinc/07/50/49/788075049.db2.gz LPSAYORMVMAJKR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436520 788075055 /nfs/dbraw/zinc/07/50/55/788075055.db2.gz LPSAYORMVMAJKR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436520 788075062 /nfs/dbraw/zinc/07/50/62/788075062.db2.gz LPSAYORMVMAJKR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965114 789148309 /nfs/dbraw/zinc/14/83/09/789148309.db2.gz USXUAXZXRRIASQ-KBPBESRZSA-N 2 2 300.406 2.397 20 30 DEEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968637 789150356 /nfs/dbraw/zinc/15/03/56/789150356.db2.gz FFRWESKEGKEADK-ZIAGYGMSSA-N 2 2 300.406 2.397 20 30 DEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135054803 789183040 /nfs/dbraw/zinc/18/30/40/789183040.db2.gz BHQAKVCXIMKGST-CABCVRRESA-N 2 2 306.454 2.192 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606873 789810470 /nfs/dbraw/zinc/81/04/70/789810470.db2.gz LSMDMBKRDZDSPX-HUUCEWRRSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606873 789810477 /nfs/dbraw/zinc/81/04/77/789810477.db2.gz LSMDMBKRDZDSPX-HUUCEWRRSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744101 792823265 /nfs/dbraw/zinc/82/32/65/792823265.db2.gz JJRFHQHQZGCJMV-WLYUNCDWSA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744101 792823277 /nfs/dbraw/zinc/82/32/77/792823277.db2.gz JJRFHQHQZGCJMV-WLYUNCDWSA-N 2 2 304.438 2.039 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603865 793147334 /nfs/dbraw/zinc/14/73/34/793147334.db2.gz DAODJJKMKBSNSP-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083282 793499078 /nfs/dbraw/zinc/49/90/78/793499078.db2.gz KYQRNSGEQKEXNS-GDBMZVCRSA-N 2 2 318.465 2.187 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083282 793499083 /nfs/dbraw/zinc/49/90/83/793499083.db2.gz KYQRNSGEQKEXNS-GDBMZVCRSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613795 793673693 /nfs/dbraw/zinc/67/36/93/793673693.db2.gz VSIRYBZYFFAFKU-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613795 793673698 /nfs/dbraw/zinc/67/36/98/793673698.db2.gz VSIRYBZYFFAFKU-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP N#CCC1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC1 ZINC001173334448 793681713 /nfs/dbraw/zinc/68/17/13/793681713.db2.gz RRWMJMKYYPVCOD-FYOYPEGLSA-N 2 2 312.461 2.260 20 30 DEEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176166542 794366543 /nfs/dbraw/zinc/36/65/43/794366543.db2.gz SAXMHMVHGKVGAW-HNNXBMFYSA-N 2 2 306.454 2.193 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176774775 794491327 /nfs/dbraw/zinc/49/13/27/794491327.db2.gz IBWDCABOEYTBJM-DOTOQJQBSA-N 2 2 318.465 2.135 20 30 DEEDLP C=C(C)CC[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176870508 794517204 /nfs/dbraw/zinc/51/72/04/794517204.db2.gz IPQBOTWJWKBFMI-UHFFFAOYSA-N 2 2 321.490 2.168 20 30 DEEDLP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176870508 794517206 /nfs/dbraw/zinc/51/72/06/794517206.db2.gz IPQBOTWJWKBFMI-UHFFFAOYSA-N 2 2 321.490 2.168 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177625434 794714023 /nfs/dbraw/zinc/71/40/23/794714023.db2.gz DYJWCJVJPIQUPE-DOTOQJQBSA-N 2 2 317.433 2.011 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177625434 794714030 /nfs/dbraw/zinc/71/40/30/794714030.db2.gz DYJWCJVJPIQUPE-DOTOQJQBSA-N 2 2 317.433 2.011 20 30 DEEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625434 794714035 /nfs/dbraw/zinc/71/40/35/794714035.db2.gz DYJWCJVJPIQUPE-DOTOQJQBSA-N 2 2 317.433 2.011 20 30 DEEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625434 794714042 /nfs/dbraw/zinc/71/40/42/794714042.db2.gz DYJWCJVJPIQUPE-DOTOQJQBSA-N 2 2 317.433 2.011 20 30 DEEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956967 795038606 /nfs/dbraw/zinc/03/86/06/795038606.db2.gz GJTRTKYNIHNMSP-ULQDDVLXSA-N 2 2 316.449 2.073 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179691977 795153635 /nfs/dbraw/zinc/15/36/35/795153635.db2.gz HOHVPLDVHJGPDX-YCPHGPKFSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179691977 795153640 /nfs/dbraw/zinc/15/36/40/795153640.db2.gz HOHVPLDVHJGPDX-YCPHGPKFSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180387030 795286247 /nfs/dbraw/zinc/28/62/47/795286247.db2.gz IQSDXJBNWWSGEF-KRWDZBQOSA-N 2 2 318.465 2.137 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001121946083 795708016 /nfs/dbraw/zinc/70/80/16/795708016.db2.gz LPLFXKOXIVPMQJ-IAGOWNOFSA-N 2 2 301.434 2.185 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001121946083 795708019 /nfs/dbraw/zinc/70/80/19/795708019.db2.gz LPLFXKOXIVPMQJ-IAGOWNOFSA-N 2 2 301.434 2.185 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996748 795788646 /nfs/dbraw/zinc/78/86/46/795788646.db2.gz FWEIJKYLOFYJCL-IIDMSEBBSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183755518 795933481 /nfs/dbraw/zinc/93/34/81/795933481.db2.gz AERAFILIAAKNGC-ZWKOTPCHSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183755518 795933487 /nfs/dbraw/zinc/93/34/87/795933487.db2.gz AERAFILIAAKNGC-ZWKOTPCHSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183755518 795933493 /nfs/dbraw/zinc/93/34/93/795933493.db2.gz AERAFILIAAKNGC-ZWKOTPCHSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183755518 795933500 /nfs/dbraw/zinc/93/35/00/795933500.db2.gz AERAFILIAAKNGC-ZWKOTPCHSA-N 2 2 313.445 2.028 20 30 DEEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184720131 796110016 /nfs/dbraw/zinc/11/00/16/796110016.db2.gz IYNMUCHUFJAWQM-MRXNPFEDSA-N 2 2 306.454 2.434 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184799769 796127495 /nfs/dbraw/zinc/12/74/95/796127495.db2.gz QHLSDPCIIYGSHI-CABCVRRESA-N 2 2 312.417 2.208 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788053 796314231 /nfs/dbraw/zinc/31/42/31/796314231.db2.gz JZXHZIKZCAWTGL-DLBZAZTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942421 796912008 /nfs/dbraw/zinc/91/20/08/796912008.db2.gz OTTCSWAXPWKHLU-UKPHBRMFSA-N 2 2 316.449 2.148 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942421 796912012 /nfs/dbraw/zinc/91/20/12/796912012.db2.gz OTTCSWAXPWKHLU-UKPHBRMFSA-N 2 2 316.449 2.148 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757044 797060267 /nfs/dbraw/zinc/06/02/67/797060267.db2.gz ZUCOUCKMGJMQNO-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757044 797060271 /nfs/dbraw/zinc/06/02/71/797060271.db2.gz ZUCOUCKMGJMQNO-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757044 797060278 /nfs/dbraw/zinc/06/02/78/797060278.db2.gz ZUCOUCKMGJMQNO-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757044 797060283 /nfs/dbraw/zinc/06/02/83/797060283.db2.gz ZUCOUCKMGJMQNO-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479916 797204076 /nfs/dbraw/zinc/20/40/76/797204076.db2.gz UQCGFSMONWYOAN-HZPDHXFCSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479916 797204081 /nfs/dbraw/zinc/20/40/81/797204081.db2.gz UQCGFSMONWYOAN-HZPDHXFCSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066775 797455969 /nfs/dbraw/zinc/45/59/69/797455969.db2.gz YQLHTMGFHKOBSD-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066775 797455972 /nfs/dbraw/zinc/45/59/72/797455972.db2.gz YQLHTMGFHKOBSD-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196689685 798098769 /nfs/dbraw/zinc/09/87/69/798098769.db2.gz JWPWNJDBXYMKJD-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196689685 798098775 /nfs/dbraw/zinc/09/87/75/798098775.db2.gz JWPWNJDBXYMKJD-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050710 798333133 /nfs/dbraw/zinc/33/31/33/798333133.db2.gz SKLCRPOECJAUPB-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050710 798333123 /nfs/dbraw/zinc/33/31/23/798333123.db2.gz SKLCRPOECJAUPB-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050710 798333126 /nfs/dbraw/zinc/33/31/26/798333126.db2.gz SKLCRPOECJAUPB-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050710 798333130 /nfs/dbraw/zinc/33/31/30/798333130.db2.gz SKLCRPOECJAUPB-MRXNPFEDSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468380 798411412 /nfs/dbraw/zinc/41/14/12/798411412.db2.gz UXSUWGULBBJXTL-HUUCEWRRSA-N 2 2 316.449 2.329 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468380 798411416 /nfs/dbraw/zinc/41/14/16/798411416.db2.gz UXSUWGULBBJXTL-HUUCEWRRSA-N 2 2 316.449 2.329 20 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/nfs/dbraw/zinc/80/73/92/1145807392.db2.gz ZOCCMQPEJKFQEO-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001284156898 1145807393 /nfs/dbraw/zinc/80/73/93/1145807393.db2.gz ZOCCMQPEJKFQEO-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001366890998 1147610013 /nfs/dbraw/zinc/61/00/13/1147610013.db2.gz CUIPQSGPJRAVEG-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001366890998 1147610015 /nfs/dbraw/zinc/61/00/15/1147610015.db2.gz CUIPQSGPJRAVEG-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001366890998 1147610018 /nfs/dbraw/zinc/61/00/18/1147610018.db2.gz CUIPQSGPJRAVEG-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001366890998 1147610021 /nfs/dbraw/zinc/61/00/21/1147610021.db2.gz CUIPQSGPJRAVEG-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001316953002 1147638655 /nfs/dbraw/zinc/63/86/55/1147638655.db2.gz IRKASNMYDRPKLU-QZTJIDSGSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001316953002 1147638656 /nfs/dbraw/zinc/63/86/56/1147638656.db2.gz IRKASNMYDRPKLU-QZTJIDSGSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317038863 1147651508 /nfs/dbraw/zinc/65/15/08/1147651508.db2.gz HKWBFEZQAYSHSC-CQSZACIVSA-N 2 2 304.438 2.044 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317038863 1147651510 /nfs/dbraw/zinc/65/15/10/1147651510.db2.gz HKWBFEZQAYSHSC-CQSZACIVSA-N 2 2 304.438 2.044 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317932228 1147761568 /nfs/dbraw/zinc/76/15/68/1147761568.db2.gz WHZDUQHTMKFRBR-HZPDHXFCSA-N 2 2 316.449 2.001 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317932228 1147761570 /nfs/dbraw/zinc/76/15/70/1147761570.db2.gz WHZDUQHTMKFRBR-HZPDHXFCSA-N 2 2 316.449 2.001 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001368040112 1147839232 /nfs/dbraw/zinc/83/92/32/1147839232.db2.gz CSXHMIUNXVPQNB-OAHLLOKOSA-N 2 2 321.852 2.280 20 30 DEEDLP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324978420 1147863891 /nfs/dbraw/zinc/86/38/91/1147863891.db2.gz UCOIOFICFVILEY-QGZVFWFLSA-N 2 2 304.438 2.055 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324978420 1147863892 /nfs/dbraw/zinc/86/38/92/1147863892.db2.gz UCOIOFICFVILEY-QGZVFWFLSA-N 2 2 304.438 2.055 20 30 DEEDLP C[C@H](O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000278776627 214392103 /nfs/dbraw/zinc/39/21/03/214392103.db2.gz LLOUIUOYDOPVCP-HNNXBMFYSA-N 2 2 301.434 2.273 20 30 DEEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181558227 199317088 /nfs/dbraw/zinc/31/70/88/199317088.db2.gz ICSVRPYXWDMTIS-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000614962689 362499680 /nfs/dbraw/zinc/49/96/80/362499680.db2.gz CLQLKJJTTYVHOV-QFBILLFUSA-N 2 2 312.461 2.331 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000614962689 362499687 /nfs/dbraw/zinc/49/96/87/362499687.db2.gz CLQLKJJTTYVHOV-QFBILLFUSA-N 2 2 312.461 2.331 20 30 DEEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sccc1C#N ZINC000181076330 356072395 /nfs/dbraw/zinc/07/23/95/356072395.db2.gz WDRCORUDNHNIQA-UHFFFAOYSA-N 2 2 317.418 2.167 20 30 DEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sccc1C#N ZINC000181076330 356072399 /nfs/dbraw/zinc/07/23/99/356072399.db2.gz WDRCORUDNHNIQA-UHFFFAOYSA-N 2 2 317.418 2.167 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000591579397 357737950 /nfs/dbraw/zinc/73/79/50/357737950.db2.gz XTWFRVWTQOLAAF-LJQANCHMSA-N 3 2 324.472 2.254 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867722 357772987 /nfs/dbraw/zinc/77/29/87/357772987.db2.gz RWPJDGGGALJRIF-CVEARBPZSA-N 2 2 302.422 2.109 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867722 357772988 /nfs/dbraw/zinc/77/29/88/357772988.db2.gz RWPJDGGGALJRIF-CVEARBPZSA-N 2 2 302.422 2.109 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3=CCCOC3)CC2)c1 ZINC000593693168 358124251 /nfs/dbraw/zinc/12/42/51/358124251.db2.gz RJDFDPFLNHBTPV-UHFFFAOYSA-N 2 2 311.429 2.459 20 30 DEEDLP N#Cc1csc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000594616747 358307028 /nfs/dbraw/zinc/30/70/28/358307028.db2.gz IIYJKJVGASOJPO-HNNXBMFYSA-N 2 2 305.447 2.306 20 30 DEEDLP C[C@H](C#N)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000600143751 359662626 /nfs/dbraw/zinc/66/26/26/359662626.db2.gz FXJRXLAVXITTDE-CYBMUJFWSA-N 2 2 306.841 2.341 20 30 DEEDLP CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602610699 360456456 /nfs/dbraw/zinc/45/64/56/360456456.db2.gz IUJLSYMRPGKZPH-KRWDZBQOSA-N 2 2 317.433 2.179 20 30 DEEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N ZINC000443981267 238132975 /nfs/dbraw/zinc/13/29/75/238132975.db2.gz SQALZORZQVLIRD-GOSISDBHSA-N 2 2 301.434 2.313 20 30 DEEDLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1C#N ZINC000443981267 238132977 /nfs/dbraw/zinc/13/29/77/238132977.db2.gz SQALZORZQVLIRD-GOSISDBHSA-N 2 2 301.434 2.313 20 30 DEEDLP C[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271899305 209309173 /nfs/dbraw/zinc/30/91/73/209309173.db2.gz VCGDUJRYXQQMDC-HNNXBMFYSA-N 2 2 301.434 2.131 20 30 DEEDLP Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000266103910 205099384 /nfs/dbraw/zinc/09/93/84/205099384.db2.gz IOHWQVCLTICVSP-UHFFFAOYSA-N 2 2 307.401 2.369 20 30 DEEDLP Cc1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000266103910 205099387 /nfs/dbraw/zinc/09/93/87/205099387.db2.gz IOHWQVCLTICVSP-UHFFFAOYSA-N 2 2 307.401 2.369 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493582494 249330542 /nfs/dbraw/zinc/33/05/42/249330542.db2.gz JOUVZBPIRJYGOS-LZNQSLFOSA-N 2 2 302.422 2.238 20 30 DEEDLP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000261689484 533360969 /nfs/dbraw/zinc/36/09/69/533360969.db2.gz AZCIFAMMIQHINH-LBPRGKRZSA-N 2 2 306.479 2.342 20 30 DEEDLP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000261689484 533360973 /nfs/dbraw/zinc/36/09/73/533360973.db2.gz AZCIFAMMIQHINH-LBPRGKRZSA-N 2 2 306.479 2.342 20 30 DEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192021157 145069753 /nfs/dbraw/zinc/06/97/53/145069753.db2.gz MFKKGTVOGZSXRF-INIZCTEOSA-N 2 2 317.408 2.242 20 30 DEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192021157 145069754 /nfs/dbraw/zinc/06/97/54/145069754.db2.gz MFKKGTVOGZSXRF-INIZCTEOSA-N 2 2 317.408 2.242 20 30 DEEDLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247728829 145143807 /nfs/dbraw/zinc/14/38/07/145143807.db2.gz UYPRWXFTZAXLDT-WMLDXEAASA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247728829 145143808 /nfs/dbraw/zinc/14/38/08/145143808.db2.gz UYPRWXFTZAXLDT-WMLDXEAASA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370696927 148046382 /nfs/dbraw/zinc/04/63/82/148046382.db2.gz IQTQPDZIWZRMJU-PBHICJAKSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370696927 148046383 /nfs/dbraw/zinc/04/63/83/148046383.db2.gz IQTQPDZIWZRMJU-PBHICJAKSA-N 2 2 318.490 2.078 20 30 DEEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000111240656 401702577 /nfs/dbraw/zinc/70/25/77/401702577.db2.gz WVLKUCHFHVBAET-UHFFFAOYSA-N 2 2 320.481 2.135 20 30 DEEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000111240656 401702579 /nfs/dbraw/zinc/70/25/79/401702579.db2.gz WVLKUCHFHVBAET-UHFFFAOYSA-N 2 2 320.481 2.135 20 30 DEEDLP C=CCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000131525650 401851868 /nfs/dbraw/zinc/85/18/68/401851868.db2.gz ZRQPOSYJPQDTBR-INIZCTEOSA-N 2 2 312.841 2.307 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC000171612751 402601625 /nfs/dbraw/zinc/60/16/25/402601625.db2.gz XAWDJFVVJUCFAB-UHFFFAOYSA-N 2 2 308.385 2.284 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000266617898 402979268 /nfs/dbraw/zinc/97/92/68/402979268.db2.gz YXLYKVAHFYVKOW-IRXDYDNUSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000266617898 402979271 /nfs/dbraw/zinc/97/92/71/402979271.db2.gz YXLYKVAHFYVKOW-IRXDYDNUSA-N 2 2 307.482 2.239 20 30 DEEDLP Cc1cc(C)c(C#N)c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000267248005 403029197 /nfs/dbraw/zinc/02/91/97/403029197.db2.gz YXICICITXMHUPT-UHFFFAOYSA-N 2 2 301.438 2.008 20 30 DEEDLP CCNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000274516935 403063162 /nfs/dbraw/zinc/06/31/62/403063162.db2.gz WKNYIVCOGBUSME-GFCCVEGCSA-N 2 2 302.344 2.232 20 30 DEEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000289143969 403849444 /nfs/dbraw/zinc/84/94/44/403849444.db2.gz PROICFSABNEXIS-UHFFFAOYSA-N 2 2 321.428 2.412 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124750 403967777 /nfs/dbraw/zinc/96/77/77/403967777.db2.gz DKFHZGGYCKMQGW-ROUUACIJSA-N 2 2 319.493 2.361 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124750 403967787 /nfs/dbraw/zinc/96/77/87/403967787.db2.gz DKFHZGGYCKMQGW-ROUUACIJSA-N 2 2 319.493 2.361 20 30 DEEDLP N#CCCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289474731 403980259 /nfs/dbraw/zinc/98/02/59/403980259.db2.gz ZHGCDRWUDZVJHM-OAHLLOKOSA-N 2 2 300.406 2.439 20 30 DEEDLP N#CCCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289474731 403980262 /nfs/dbraw/zinc/98/02/62/403980262.db2.gz ZHGCDRWUDZVJHM-OAHLLOKOSA-N 2 2 300.406 2.439 20 30 DEEDLP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353365539 404814689 /nfs/dbraw/zinc/81/46/89/404814689.db2.gz RFPVQNCSSGTTKQ-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CCOc1ccccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353365539 404814691 /nfs/dbraw/zinc/81/46/91/404814691.db2.gz RFPVQNCSSGTTKQ-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353979133 404980472 /nfs/dbraw/zinc/98/04/72/404980472.db2.gz PKFYYLPPNOKWIK-OZSLIKBDSA-N 2 2 307.482 2.260 20 30 DEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353979133 404980481 /nfs/dbraw/zinc/98/04/81/404980481.db2.gz PKFYYLPPNOKWIK-OZSLIKBDSA-N 2 2 307.482 2.260 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226918 404982436 /nfs/dbraw/zinc/98/24/36/404982436.db2.gz DFQCPNHLSDAQFU-HKUYNNGSSA-N 3 2 323.525 2.363 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226918 404982442 /nfs/dbraw/zinc/98/24/42/404982442.db2.gz DFQCPNHLSDAQFU-HKUYNNGSSA-N 3 2 323.525 2.363 20 30 DEEDLP Cc1cc(NCc2ccc(OCC[NH+](C)C)cc2)c(C#N)c[nH+]1 ZINC000425208510 405258265 /nfs/dbraw/zinc/25/82/65/405258265.db2.gz PITJCDKKQUMLKT-UHFFFAOYSA-N 2 2 310.401 2.236 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420403241 405344448 /nfs/dbraw/zinc/34/44/48/405344448.db2.gz KXYFPDHUJOKOJJ-CJNGLKHVSA-N 2 2 303.450 2.390 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420403241 405344449 /nfs/dbraw/zinc/34/44/49/405344449.db2.gz KXYFPDHUJOKOJJ-CJNGLKHVSA-N 2 2 303.450 2.390 20 30 DEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420971811 405418018 /nfs/dbraw/zinc/41/80/18/405418018.db2.gz KXMBTAZESHRZDT-MOPGFXCFSA-N 2 2 316.445 2.342 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430964442 405549457 /nfs/dbraw/zinc/54/94/57/405549457.db2.gz YXGQIOAGVPVKBS-DZKIICNBSA-N 2 2 321.490 2.320 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430964442 405549467 /nfs/dbraw/zinc/54/94/67/405549467.db2.gz YXGQIOAGVPVKBS-DZKIICNBSA-N 2 2 321.490 2.320 20 30 DEEDLP COC(=O)c1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000534469036 406189058 /nfs/dbraw/zinc/18/90/58/406189058.db2.gz FIPKBLRKQAQVBP-UHFFFAOYSA-N 2 2 324.384 2.378 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000570792786 406438284 /nfs/dbraw/zinc/43/82/84/406438284.db2.gz SVDHSUMYIPXMMZ-GOSISDBHSA-N 3 2 312.461 2.254 20 30 DEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000651806130 425148023 /nfs/dbraw/zinc/14/80/23/425148023.db2.gz STPYMVOXPURFSP-VQTPCSAVSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000651806130 425148024 /nfs/dbraw/zinc/14/80/24/425148024.db2.gz STPYMVOXPURFSP-VQTPCSAVSA-N 2 2 319.493 2.404 20 30 DEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000515073708 269342933 /nfs/dbraw/zinc/34/29/33/269342933.db2.gz SDQOWDLIKSBZHG-KRWDZBQOSA-N 2 2 317.408 2.384 20 30 DEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000515073708 269342934 /nfs/dbraw/zinc/34/29/34/269342934.db2.gz SDQOWDLIKSBZHG-KRWDZBQOSA-N 2 2 317.408 2.384 20 30 DEEDLP Cc1cc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)ccc1C#N ZINC000575185887 326226942 /nfs/dbraw/zinc/22/69/42/326226942.db2.gz MPPKGLNLCZQZFD-UHFFFAOYSA-N 2 2 313.445 2.193 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088984446 782100543 /nfs/dbraw/zinc/10/05/43/782100543.db2.gz BAPTWKLWMRPXIA-OCCSQVGLSA-N 2 2 322.840 2.093 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088984446 782100548 /nfs/dbraw/zinc/10/05/48/782100548.db2.gz BAPTWKLWMRPXIA-OCCSQVGLSA-N 2 2 322.840 2.093 20 30 DEEDLP C=CCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000582721177 337125003 /nfs/dbraw/zinc/12/50/03/337125003.db2.gz WJFDMUQLUFAFQI-ZACQAIPSSA-N 2 2 310.482 2.183 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001401626904 1162051129 /nfs/dbraw/zinc/05/11/29/1162051129.db2.gz DRKCAAAIAPSTJD-KGLIPLIRSA-N 2 2 312.845 2.317 20 30 DEEDLP Cn1cc[nH+]c1N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411393797 534792445 /nfs/dbraw/zinc/79/24/45/534792445.db2.gz ATORDIUWIMPPNH-UHFFFAOYSA-N 2 2 301.438 2.406 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000193136101 527630152 /nfs/dbraw/zinc/63/01/52/527630152.db2.gz XYLVLDXKRHIGFB-SFHVURJKSA-N 2 2 324.428 2.002 20 30 DEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCCC1 ZINC000263078730 528806731 /nfs/dbraw/zinc/80/67/31/528806731.db2.gz CWLJQSMZFTVMGY-UHFFFAOYSA-N 2 2 306.479 2.168 20 30 DEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCCC1 ZINC000263078730 528806735 /nfs/dbraw/zinc/80/67/35/528806735.db2.gz CWLJQSMZFTVMGY-UHFFFAOYSA-N 2 2 306.479 2.168 20 30 DEEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1C[C@H]1C ZINC000262858690 528818639 /nfs/dbraw/zinc/81/86/39/528818639.db2.gz YSQRFWIIGPACRH-DOMZBBRYSA-N 2 2 312.421 2.039 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001026558464 625525193 /nfs/dbraw/zinc/52/51/93/625525193.db2.gz IDYGIHGKUXHQDA-YMAMQOFZSA-N 2 2 316.449 2.423 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001026562685 625525723 /nfs/dbraw/zinc/52/57/23/625525723.db2.gz NKDOOCZGHWJWEZ-QDIHITRGSA-N 2 2 316.449 2.117 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603696 623816591 /nfs/dbraw/zinc/81/65/91/623816591.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603696 623816596 /nfs/dbraw/zinc/81/65/96/623816596.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603696 623816604 /nfs/dbraw/zinc/81/66/04/623816604.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603696 623816615 /nfs/dbraw/zinc/81/66/15/623816615.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612585 623833609 /nfs/dbraw/zinc/83/36/09/623833609.db2.gz COHMEAUEJLKKJS-KBXCAEBGSA-N 2 2 322.412 2.123 20 30 DEEDLP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612585 623833615 /nfs/dbraw/zinc/83/36/15/623833615.db2.gz COHMEAUEJLKKJS-KBXCAEBGSA-N 2 2 322.412 2.123 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753443 624040237 /nfs/dbraw/zinc/04/02/37/624040237.db2.gz GRYHGWJXFUBZNQ-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753443 624040241 /nfs/dbraw/zinc/04/02/41/624040241.db2.gz GRYHGWJXFUBZNQ-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000999151774 634499808 /nfs/dbraw/zinc/49/98/08/634499808.db2.gz HWIXUYPNJZFUIH-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999824849 634688861 /nfs/dbraw/zinc/68/88/61/634688861.db2.gz YMKUBRDLKDDLTL-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000921738917 634817743 /nfs/dbraw/zinc/81/77/43/634817743.db2.gz VYNZTDZAGYXSHJ-HNNXBMFYSA-N 2 2 305.447 2.353 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC000996041589 633174780 /nfs/dbraw/zinc/17/47/80/633174780.db2.gz VCQQHUOMLUSIFC-HNNXBMFYSA-N 2 2 312.417 2.351 20 30 DEEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997177357 633665460 /nfs/dbraw/zinc/66/54/60/633665460.db2.gz PMVWCRHZPSOYPG-CYBMUJFWSA-N 2 2 310.401 2.026 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000921860684 635639834 /nfs/dbraw/zinc/63/98/34/635639834.db2.gz UNYCBPCZIYFCEJ-SJORKVTESA-N 2 2 319.474 2.477 20 30 DEEDLP COC(OC)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000922313489 636081793 /nfs/dbraw/zinc/08/17/93/636081793.db2.gz QIHFOCHYDFZLLJ-AWEZNQCLSA-N 2 2 317.433 2.120 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028907111 636838935 /nfs/dbraw/zinc/83/89/35/636838935.db2.gz FNEWHVUUWRVHQL-HNNXBMFYSA-N 2 2 310.401 2.110 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028907111 636838940 /nfs/dbraw/zinc/83/89/40/636838940.db2.gz FNEWHVUUWRVHQL-HNNXBMFYSA-N 2 2 310.401 2.110 20 30 DEEDLP CNc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000894408965 637011177 /nfs/dbraw/zinc/01/11/77/637011177.db2.gz YNHLNVSGKBQYKU-UHFFFAOYSA-N 2 2 322.416 2.466 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005981581 637027548 /nfs/dbraw/zinc/02/75/48/637027548.db2.gz VVIONSWSURQHNX-HNNXBMFYSA-N 2 2 316.449 2.329 20 30 DEEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990711563 641627683 /nfs/dbraw/zinc/62/76/83/641627683.db2.gz MLZWOKVFJIMNAA-LPHOPBHVSA-N 2 2 322.412 2.003 20 30 DEEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990711563 641627686 /nfs/dbraw/zinc/62/76/86/641627686.db2.gz MLZWOKVFJIMNAA-LPHOPBHVSA-N 2 2 322.412 2.003 20 30 DEEDLP COC[C@H](CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000902280966 642978686 /nfs/dbraw/zinc/97/86/86/642978686.db2.gz IIFAVDDQXYJRAR-MRXNPFEDSA-N 2 2 307.438 2.304 20 30 DEEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005712 643222179 /nfs/dbraw/zinc/22/21/79/643222179.db2.gz YKGJPDKODCZYOD-ROUUACIJSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005712 643222181 /nfs/dbraw/zinc/22/21/81/643222181.db2.gz YKGJPDKODCZYOD-ROUUACIJSA-N 2 2 301.434 2.446 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000906503927 644275086 /nfs/dbraw/zinc/27/50/86/644275086.db2.gz YAWQDKYREYHGPK-KRWDZBQOSA-N 3 2 318.465 2.260 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000906503927 644275090 /nfs/dbraw/zinc/27/50/90/644275090.db2.gz YAWQDKYREYHGPK-KRWDZBQOSA-N 3 2 318.465 2.260 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000992721861 647196856 /nfs/dbraw/zinc/19/68/56/647196856.db2.gz QCJFRHLGZQZCQX-HYVNUMGLSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992721861 647196859 /nfs/dbraw/zinc/19/68/59/647196859.db2.gz QCJFRHLGZQZCQX-HYVNUMGLSA-N 2 2 316.449 2.135 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993353073 647624384 /nfs/dbraw/zinc/62/43/84/647624384.db2.gz QPUGEKBTIZGZFZ-RDJZCZTQSA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993353073 647624389 /nfs/dbraw/zinc/62/43/89/647624389.db2.gz QPUGEKBTIZGZFZ-RDJZCZTQSA-N 2 2 324.428 2.249 20 30 DEEDLP C#Cc1cccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000825227725 648727639 /nfs/dbraw/zinc/72/76/39/648727639.db2.gz ZDJCCXMUBQYVBE-UHFFFAOYSA-N 2 2 314.429 2.175 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942484661 649226886 /nfs/dbraw/zinc/22/68/86/649226886.db2.gz DNPYQKQPVMQURI-CABCVRRESA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942484661 649226887 /nfs/dbraw/zinc/22/68/87/649226887.db2.gz DNPYQKQPVMQURI-CABCVRRESA-N 2 2 312.417 2.351 20 30 DEEDLP CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858111363 652256726 /nfs/dbraw/zinc/25/67/26/652256726.db2.gz CTHVRNNEKHBJTL-INIZCTEOSA-N 2 2 324.513 2.425 20 30 DEEDLP CCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858111363 652256728 /nfs/dbraw/zinc/25/67/28/652256728.db2.gz CTHVRNNEKHBJTL-INIZCTEOSA-N 2 2 324.513 2.425 20 30 DEEDLP C[C@H]1CCCN(C(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000104167902 684058334 /nfs/dbraw/zinc/05/83/34/684058334.db2.gz CRRFPPFGSYKTSG-XJKSGUPXSA-N 2 2 306.429 2.475 20 30 DEEDLP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000104173585 684058481 /nfs/dbraw/zinc/05/84/81/684058481.db2.gz VPALTTNWIFJCRI-CYBMUJFWSA-N 2 2 306.479 2.295 20 30 DEEDLP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000104173585 684058485 /nfs/dbraw/zinc/05/84/85/684058485.db2.gz VPALTTNWIFJCRI-CYBMUJFWSA-N 2 2 306.479 2.295 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249651 693899664 /nfs/dbraw/zinc/89/96/64/693899664.db2.gz ZAWSDQHFPWBRRR-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249651 693899668 /nfs/dbraw/zinc/89/96/68/693899668.db2.gz ZAWSDQHFPWBRRR-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP CCC(CC)[C@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCOCC1 ZINC000303789755 685235522 /nfs/dbraw/zinc/23/55/22/685235522.db2.gz VSBHZUSEOPBMCJ-INIZCTEOSA-N 2 2 312.502 2.074 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016726079 687691145 /nfs/dbraw/zinc/69/11/45/687691145.db2.gz LQPPTMRWJCNWPN-MRXNPFEDSA-N 2 2 324.428 2.495 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016725155 687691306 /nfs/dbraw/zinc/69/13/06/687691306.db2.gz FEURUIJWTUCXOT-OAHLLOKOSA-N 2 2 310.401 2.105 20 30 DEEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372727 694148472 /nfs/dbraw/zinc/14/84/72/694148472.db2.gz CVIPWTLBBPJYJR-HUUCEWRRSA-N 2 2 307.463 2.085 20 30 DEEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372727 694148473 /nfs/dbraw/zinc/14/84/73/694148473.db2.gz CVIPWTLBBPJYJR-HUUCEWRRSA-N 2 2 307.463 2.085 20 30 DEEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372727 694148474 /nfs/dbraw/zinc/14/84/74/694148474.db2.gz CVIPWTLBBPJYJR-HUUCEWRRSA-N 2 2 307.463 2.085 20 30 DEEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC#N)C2)s1 ZINC000930372727 694148475 /nfs/dbraw/zinc/14/84/75/694148475.db2.gz CVIPWTLBBPJYJR-HUUCEWRRSA-N 2 2 307.463 2.085 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018027535 688031032 /nfs/dbraw/zinc/03/10/32/688031032.db2.gz WJILPNYHLRVRPO-ZACQAIPSSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018027535 688031038 /nfs/dbraw/zinc/03/10/38/688031038.db2.gz WJILPNYHLRVRPO-ZACQAIPSSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833884 689631255 /nfs/dbraw/zinc/63/12/55/689631255.db2.gz RVKRRFRLMYIXGS-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833884 689631257 /nfs/dbraw/zinc/63/12/57/689631257.db2.gz RVKRRFRLMYIXGS-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941807 689669345 /nfs/dbraw/zinc/66/93/45/689669345.db2.gz SDJPJOYQTUJFES-HNNXBMFYSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941807 689669348 /nfs/dbraw/zinc/66/93/48/689669348.db2.gz SDJPJOYQTUJFES-HNNXBMFYSA-N 2 2 313.873 2.004 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036749715 690457826 /nfs/dbraw/zinc/45/78/26/690457826.db2.gz AZJLYXHFTQPTRT-KBXCAEBGSA-N 2 2 322.412 2.123 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036749715 690457829 /nfs/dbraw/zinc/45/78/29/690457829.db2.gz AZJLYXHFTQPTRT-KBXCAEBGSA-N 2 2 322.412 2.123 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CC ZINC001037849662 690622723 /nfs/dbraw/zinc/62/27/23/690622723.db2.gz FUESGHWKLIYQHF-ZFWWWQNUSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037849662 690622724 /nfs/dbraw/zinc/62/27/24/690622724.db2.gz FUESGHWKLIYQHF-ZFWWWQNUSA-N 2 2 324.856 2.312 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874145 690952637 /nfs/dbraw/zinc/95/26/37/690952637.db2.gz OBDYKLABKVMFHA-KRWDZBQOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874145 690952639 /nfs/dbraw/zinc/95/26/39/690952639.db2.gz OBDYKLABKVMFHA-KRWDZBQOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039163799 691036775 /nfs/dbraw/zinc/03/67/75/691036775.db2.gz BAPFKKSWKCJZTI-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039163799 691036776 /nfs/dbraw/zinc/03/67/76/691036776.db2.gz BAPFKKSWKCJZTI-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236846 691064206 /nfs/dbraw/zinc/06/42/06/691064206.db2.gz DKJPRWDIQIKSDI-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236846 691064207 /nfs/dbraw/zinc/06/42/07/691064207.db2.gz DKJPRWDIQIKSDI-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001040733752 691283471 /nfs/dbraw/zinc/28/34/71/691283471.db2.gz VUKRDWMKGDUKAI-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001040733752 691283476 /nfs/dbraw/zinc/28/34/76/691283476.db2.gz VUKRDWMKGDUKAI-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717829 691415855 /nfs/dbraw/zinc/41/58/55/691415855.db2.gz UILRCZNSISCWKG-SJLPKXTDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717829 691415858 /nfs/dbraw/zinc/41/58/58/691415858.db2.gz UILRCZNSISCWKG-SJLPKXTDSA-N 2 2 316.449 2.335 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000883131258 691436028 /nfs/dbraw/zinc/43/60/28/691436028.db2.gz RYNIEOLONWSDNM-UHFFFAOYSA-N 2 2 314.408 2.365 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000883131258 691436030 /nfs/dbraw/zinc/43/60/30/691436030.db2.gz RYNIEOLONWSDNM-UHFFFAOYSA-N 2 2 314.408 2.365 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042118650 691513483 /nfs/dbraw/zinc/51/34/83/691513483.db2.gz YBWBFHJJBDTEIW-KSSFIOAISA-N 2 2 322.412 2.123 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042118650 691513485 /nfs/dbraw/zinc/51/34/85/691513485.db2.gz YBWBFHJJBDTEIW-KSSFIOAISA-N 2 2 322.412 2.123 20 30 DEEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC000884209278 691682843 /nfs/dbraw/zinc/68/28/43/691682843.db2.gz WLBAPIMVDGNUIM-TXKKKEFDSA-N 2 2 321.384 2.155 20 30 DEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001044693142 691874132 /nfs/dbraw/zinc/87/41/32/691874132.db2.gz NDYBXAZERSQLLE-WBVHZDCISA-N 2 2 322.412 2.088 20 30 DEEDLP N#CC1(C[C@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000886094439 692002051 /nfs/dbraw/zinc/00/20/51/692002051.db2.gz RVHIKVAYMWFHCU-INIZCTEOSA-N 2 2 314.433 2.403 20 30 DEEDLP C#CCN1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000886210947 692024700 /nfs/dbraw/zinc/02/47/00/692024700.db2.gz FVDNWFQVMRHTLD-AWEZNQCLSA-N 2 2 300.431 2.121 20 30 DEEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048537861 692642099 /nfs/dbraw/zinc/64/20/99/692642099.db2.gz FPLFLBJIMQLETO-RBVVOMGSSA-N 2 2 322.412 2.169 20 30 DEEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048537861 692642101 /nfs/dbraw/zinc/64/21/01/692642101.db2.gz FPLFLBJIMQLETO-RBVVOMGSSA-N 2 2 322.412 2.169 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049518132 692908551 /nfs/dbraw/zinc/90/85/51/692908551.db2.gz LUTSBRAICKZEGL-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049518132 692908553 /nfs/dbraw/zinc/90/85/53/692908553.db2.gz LUTSBRAICKZEGL-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049518132 692908555 /nfs/dbraw/zinc/90/85/55/692908555.db2.gz LUTSBRAICKZEGL-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049518132 692908558 /nfs/dbraw/zinc/90/85/58/692908558.db2.gz LUTSBRAICKZEGL-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627016 692945258 /nfs/dbraw/zinc/94/52/58/692945258.db2.gz URZFRRBGJBOYMR-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627016 692945260 /nfs/dbraw/zinc/94/52/60/692945260.db2.gz URZFRRBGJBOYMR-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050061552 693096945 /nfs/dbraw/zinc/09/69/45/693096945.db2.gz BWYMCWVVZDVCMP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050061552 693096947 /nfs/dbraw/zinc/09/69/47/693096947.db2.gz BWYMCWVVZDVCMP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050061552 693096950 /nfs/dbraw/zinc/09/69/50/693096950.db2.gz BWYMCWVVZDVCMP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050061552 693096952 /nfs/dbraw/zinc/09/69/52/693096952.db2.gz BWYMCWVVZDVCMP-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001050541190 693203390 /nfs/dbraw/zinc/20/33/90/693203390.db2.gz CTUJSUYLFHCLKN-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001050541190 693203392 /nfs/dbraw/zinc/20/33/92/693203392.db2.gz CTUJSUYLFHCLKN-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000924983259 693209881 /nfs/dbraw/zinc/20/98/81/693209881.db2.gz CTJLHDFDPUVVEZ-SJLPKXTDSA-N 2 2 302.466 2.371 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001050731479 693239888 /nfs/dbraw/zinc/23/98/88/693239888.db2.gz HPZWOZLEXLKALU-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052379761 693518806 /nfs/dbraw/zinc/51/88/06/693518806.db2.gz RHPQCARYQCPHHG-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052379761 693518810 /nfs/dbraw/zinc/51/88/10/693518810.db2.gz RHPQCARYQCPHHG-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001381733335 1153199164 /nfs/dbraw/zinc/19/91/64/1153199164.db2.gz JPQYZWGGWNURAI-UHFFFAOYSA-N 2 2 310.829 2.044 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001400146157 1161666198 /nfs/dbraw/zinc/66/61/98/1161666198.db2.gz NBWVXYPBSVJFEC-OAHLLOKOSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001400146157 1161666201 /nfs/dbraw/zinc/66/62/01/1161666201.db2.gz NBWVXYPBSVJFEC-OAHLLOKOSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001400146157 1161666203 /nfs/dbraw/zinc/66/62/03/1161666203.db2.gz NBWVXYPBSVJFEC-OAHLLOKOSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001400146157 1161666205 /nfs/dbraw/zinc/66/62/05/1161666205.db2.gz NBWVXYPBSVJFEC-OAHLLOKOSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001405800887 1164249171 /nfs/dbraw/zinc/24/91/71/1164249171.db2.gz ABSBYQHGRRWIJK-GFCCVEGCSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001406641911 1164754197 /nfs/dbraw/zinc/75/41/97/1164754197.db2.gz ZDHSRQQFIPPYMH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001406641911 1164754202 /nfs/dbraw/zinc/75/42/02/1164754202.db2.gz ZDHSRQQFIPPYMH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001406641911 1164754207 /nfs/dbraw/zinc/75/42/07/1164754207.db2.gz ZDHSRQQFIPPYMH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001406641911 1164754211 /nfs/dbraw/zinc/75/42/11/1164754211.db2.gz ZDHSRQQFIPPYMH-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001419074826 1168180342 /nfs/dbraw/zinc/18/03/42/1168180342.db2.gz CQPAVECFMIYXEM-HIFRSBDPSA-N 2 2 324.856 2.454 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420637328 1169845131 /nfs/dbraw/zinc/84/51/31/1169845131.db2.gz UMFMDPVPQJJKKA-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420637328 1169845134 /nfs/dbraw/zinc/84/51/34/1169845134.db2.gz UMFMDPVPQJJKKA-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001421542551 1171840924 /nfs/dbraw/zinc/84/09/24/1171840924.db2.gz MTELONMJWQGFHN-CABCVRRESA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001332341075 1149851406 /nfs/dbraw/zinc/85/14/06/1149851406.db2.gz NTGCGVIZBORAPX-HZPDHXFCSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001332440060 1149859937 /nfs/dbraw/zinc/85/99/37/1149859937.db2.gz YWHZJZSTVWLNDW-GDBMZVCRSA-N 2 2 318.465 2.144 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001332807087 1149894686 /nfs/dbraw/zinc/89/46/86/1149894686.db2.gz ONUPZSKYLMTGKO-HNNXBMFYSA-N 2 2 306.454 2.429 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001332807087 1149894688 /nfs/dbraw/zinc/89/46/88/1149894688.db2.gz ONUPZSKYLMTGKO-HNNXBMFYSA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426353 777019139 /nfs/dbraw/zinc/01/91/39/777019139.db2.gz SONCBXHHBTVFGW-OAHLLOKOSA-N 2 2 318.465 2.431 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426353 777019145 /nfs/dbraw/zinc/01/91/45/777019145.db2.gz SONCBXHHBTVFGW-OAHLLOKOSA-N 2 2 318.465 2.431 20 30 DEEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352287 777104597 /nfs/dbraw/zinc/10/45/97/777104597.db2.gz NLQRHKQZMYJZQJ-HUUCEWRRSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310524 777770135 /nfs/dbraw/zinc/77/01/35/777770135.db2.gz YDMWDKATOSUJQA-XYPHTWIQSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310524 777770142 /nfs/dbraw/zinc/77/01/42/777770142.db2.gz YDMWDKATOSUJQA-XYPHTWIQSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087316602 777778119 /nfs/dbraw/zinc/77/81/19/777778119.db2.gz UVOGPDWWTOFBNS-KBRIMQKVSA-N 2 2 316.449 2.052 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087316602 777778127 /nfs/dbraw/zinc/77/81/27/777778127.db2.gz UVOGPDWWTOFBNS-KBRIMQKVSA-N 2 2 316.449 2.052 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900839 778763564 /nfs/dbraw/zinc/76/35/64/778763564.db2.gz MZDCVWYDKTWBOD-AWEZNQCLSA-N 2 2 318.465 2.491 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942386 778969907 /nfs/dbraw/zinc/96/99/07/778969907.db2.gz MXBWILQEUYYFLA-UHFFFAOYSA-N 2 2 318.465 2.195 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039506 779649688 /nfs/dbraw/zinc/64/96/88/779649688.db2.gz TVMQMRCQWXMZJP-CVEARBPZSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039506 779649694 /nfs/dbraw/zinc/64/96/94/779649694.db2.gz TVMQMRCQWXMZJP-CVEARBPZSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001088391800 780064006 /nfs/dbraw/zinc/06/40/06/780064006.db2.gz UGBWPJRTRYOPDR-JKSUJKDBSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570343 780768246 /nfs/dbraw/zinc/76/82/46/780768246.db2.gz NMVFKHGDFKEWIA-HNNXBMFYSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582826 780777707 /nfs/dbraw/zinc/77/77/07/780777707.db2.gz YLKVYPMLIFUCAQ-INIZCTEOSA-N 2 2 316.449 2.210 20 30 DEEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153229 790829065 /nfs/dbraw/zinc/82/90/65/790829065.db2.gz WOCIKCXASYLLLC-ZDUSSCGKSA-N 2 2 312.845 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153229 790829079 /nfs/dbraw/zinc/82/90/79/790829079.db2.gz WOCIKCXASYLLLC-ZDUSSCGKSA-N 2 2 312.845 2.359 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777026 780975947 /nfs/dbraw/zinc/97/59/47/780975947.db2.gz CEBLCKHPWMOQQB-QAPCUYQASA-N 2 2 322.412 2.088 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777026 780975954 /nfs/dbraw/zinc/97/59/54/780975954.db2.gz CEBLCKHPWMOQQB-QAPCUYQASA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947879130 783255486 /nfs/dbraw/zinc/25/54/86/783255486.db2.gz WMLXORDSKFJLOI-NVXWUHKLSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947879130 783255493 /nfs/dbraw/zinc/25/54/93/783255493.db2.gz WMLXORDSKFJLOI-NVXWUHKLSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947879128 783256242 /nfs/dbraw/zinc/25/62/42/783256242.db2.gz WMLXORDSKFJLOI-DOTOQJQBSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947879128 783256245 /nfs/dbraw/zinc/25/62/45/783256245.db2.gz WMLXORDSKFJLOI-DOTOQJQBSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008084349 785101405 /nfs/dbraw/zinc/10/14/05/785101405.db2.gz ABCGGXMDYAEUPY-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008084349 785101412 /nfs/dbraw/zinc/10/14/12/785101412.db2.gz ABCGGXMDYAEUPY-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008582891 785246486 /nfs/dbraw/zinc/24/64/86/785246486.db2.gz OLFBYXOOGXGTAE-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008582891 785246491 /nfs/dbraw/zinc/24/64/91/785246491.db2.gz OLFBYXOOGXGTAE-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699825 785499292 /nfs/dbraw/zinc/49/92/92/785499292.db2.gz MYOMGIFCKPDSKD-XIRDDKMYSA-N 2 2 316.449 2.278 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699825 785499297 /nfs/dbraw/zinc/49/92/97/785499297.db2.gz MYOMGIFCKPDSKD-XIRDDKMYSA-N 2 2 316.449 2.278 20 30 DEEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711969 785508188 /nfs/dbraw/zinc/50/81/88/785508188.db2.gz YCLSHHBUDUCKPG-BPUTZDHNSA-N 2 2 322.412 2.169 20 30 DEEDLP C=CCCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001113634690 786736017 /nfs/dbraw/zinc/73/60/17/786736017.db2.gz QTDCVFIURUYGBW-UHFFFAOYSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684053 786758374 /nfs/dbraw/zinc/75/83/74/786758374.db2.gz KVQOXVMAUUWUNW-GOSISDBHSA-N 2 2 315.461 2.400 20 30 DEEDLP C=CCCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724154 786779268 /nfs/dbraw/zinc/77/92/68/786779268.db2.gz LVNBVKXCGMZYHS-UHFFFAOYSA-N 2 2 315.461 2.229 20 30 DEEDLP C=CCCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724154 786779272 /nfs/dbraw/zinc/77/92/72/786779272.db2.gz LVNBVKXCGMZYHS-UHFFFAOYSA-N 2 2 315.461 2.229 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113723510 786779761 /nfs/dbraw/zinc/77/97/61/786779761.db2.gz XPAQZJAPAJDOIE-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132091287 787922608 /nfs/dbraw/zinc/92/26/08/787922608.db2.gz VJVIRMYYJWGWDN-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132091287 787922613 /nfs/dbraw/zinc/92/26/13/787922613.db2.gz VJVIRMYYJWGWDN-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132091287 787922616 /nfs/dbraw/zinc/92/26/16/787922616.db2.gz VJVIRMYYJWGWDN-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132091287 787922619 /nfs/dbraw/zinc/92/26/19/787922619.db2.gz VJVIRMYYJWGWDN-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546541 788121346 /nfs/dbraw/zinc/12/13/46/788121346.db2.gz NSRXOBLZBUXAFX-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546541 788121348 /nfs/dbraw/zinc/12/13/48/788121348.db2.gz NSRXOBLZBUXAFX-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021575 788254577 /nfs/dbraw/zinc/25/45/77/788254577.db2.gz QTHSVLMUSJLKSE-IRXDYDNUSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133240990 788328326 /nfs/dbraw/zinc/32/83/26/788328326.db2.gz CWKQZIWKSBJHTJ-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057465 789178710 /nfs/dbraw/zinc/17/87/10/789178710.db2.gz VBHARUCRAIVGPJ-LSDHHAIUSA-N 2 2 306.454 2.192 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072030806 790020052 /nfs/dbraw/zinc/02/00/52/790020052.db2.gz VVLXRQDSFLKUCS-ZFWWWQNUSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072030806 790020056 /nfs/dbraw/zinc/02/00/56/790020056.db2.gz VVLXRQDSFLKUCS-ZFWWWQNUSA-N 2 2 304.438 2.196 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC001092844684 792137594 /nfs/dbraw/zinc/13/75/94/792137594.db2.gz KWGLUWGAQJOHHO-RHSMWYFYSA-N 2 2 313.445 2.328 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC001092844684 792137599 /nfs/dbraw/zinc/13/75/99/792137599.db2.gz KWGLUWGAQJOHHO-RHSMWYFYSA-N 2 2 313.445 2.328 20 30 DEEDLP 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ZINC001112021418 794546285 /nfs/dbraw/zinc/54/62/85/794546285.db2.gz MSBMGCOSDNZLTO-BQFCYCMXSA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021418 794546288 /nfs/dbraw/zinc/54/62/88/794546288.db2.gz MSBMGCOSDNZLTO-BQFCYCMXSA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492490 794681457 /nfs/dbraw/zinc/68/14/57/794681457.db2.gz KDRBJQVMNXDRAC-UHFFFAOYSA-N 2 2 318.465 2.458 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932772 795024459 /nfs/dbraw/zinc/02/44/59/795024459.db2.gz SQOBPUXIWXIHIL-YJNKXOJESA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932772 795024467 /nfs/dbraw/zinc/02/44/67/795024467.db2.gz SQOBPUXIWXIHIL-YJNKXOJESA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517568 795124542 /nfs/dbraw/zinc/12/45/42/795124542.db2.gz 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800628516 /nfs/dbraw/zinc/62/85/16/800628516.db2.gz JSYPBSVVTGUPOD-RBSFLKMASA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364885 800966627 /nfs/dbraw/zinc/96/66/27/800966627.db2.gz IQFYWIATPMQJDR-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364885 800966629 /nfs/dbraw/zinc/96/66/29/800966629.db2.gz IQFYWIATPMQJDR-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](CCCc3cccc(C#N)c3)C[C@@H]2C1 ZINC001208852988 801079915 /nfs/dbraw/zinc/07/99/15/801079915.db2.gz YPLQRBQIWXPIFZ-RBUKOAKNSA-N 2 2 313.445 2.143 20 30 DEEDLP CC[N@H+]1CCO[C@@H]2C[NH+](CCCc3cccc(C#N)c3)C[C@@H]2C1 ZINC001208852988 801079919 /nfs/dbraw/zinc/07/99/19/801079919.db2.gz YPLQRBQIWXPIFZ-RBUKOAKNSA-N 2 2 313.445 2.143 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@H+](CCCc3cccc(C#N)c3)C[C@@H]2C1 ZINC001208852988 801079925 /nfs/dbraw/zinc/07/99/25/801079925.db2.gz 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C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269990845 1081419350 /nfs/dbraw/zinc/41/93/50/1081419350.db2.gz DFAHVXFUIWPKIQ-KLHDSHLOSA-N 2 2 316.449 2.496 20 30 DEEDLP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001270737203 1081618390 /nfs/dbraw/zinc/61/83/90/1081618390.db2.gz IBHMQFDXKDPXED-IIDMSEBBSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001270737203 1081618392 /nfs/dbraw/zinc/61/83/92/1081618392.db2.gz IBHMQFDXKDPXED-IIDMSEBBSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001672994246 1081729774 /nfs/dbraw/zinc/72/97/74/1081729774.db2.gz DFCRLBMVQFXRGI-WKILWMFISA-N 2 2 304.438 2.114 20 30 DEEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482457767 1081914207 /nfs/dbraw/zinc/91/42/07/1081914207.db2.gz XOHVRVDHBSYIDS-IRXDYDNUSA-N 2 2 316.449 2.218 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001271749719 1082144345 /nfs/dbraw/zinc/14/43/45/1082144345.db2.gz GMTVPEIQFXXZTM-WMLDXEAASA-N 2 2 318.465 2.444 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266751626 1082321163 /nfs/dbraw/zinc/32/11/63/1082321163.db2.gz IMBHJXKRPSGSHN-IRXDYDNUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266751626 1082321173 /nfs/dbraw/zinc/32/11/73/1082321173.db2.gz IMBHJXKRPSGSHN-IRXDYDNUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266751624 1082321298 /nfs/dbraw/zinc/32/12/98/1082321298.db2.gz IMBHJXKRPSGSHN-DLBZAZTESA-N 2 2 318.465 2.485 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266751624 1082321306 /nfs/dbraw/zinc/32/13/06/1082321306.db2.gz IMBHJXKRPSGSHN-DLBZAZTESA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642964 1082431756 /nfs/dbraw/zinc/43/17/56/1082431756.db2.gz ZOJBDZVJZUIDNZ-CABCVRRESA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642964 1082431758 /nfs/dbraw/zinc/43/17/58/1082431758.db2.gz ZOJBDZVJZUIDNZ-CABCVRRESA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH2+]C/C=C\CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001483013259 1082623848 /nfs/dbraw/zinc/62/38/48/1082623848.db2.gz YNEZOTGVBBHNSC-ARJAWSKDSA-N 2 2 318.808 2.271 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001409377477 1082855583 /nfs/dbraw/zinc/85/55/83/1082855583.db2.gz LJYWWLNWYPZKSR-RYUDHWBXSA-N 2 2 306.797 2.183 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433321 1083392558 /nfs/dbraw/zinc/39/25/58/1083392558.db2.gz ZORVSEDFPJIXLC-SJLPKXTDSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433321 1083392569 /nfs/dbraw/zinc/39/25/69/1083392569.db2.gz ZORVSEDFPJIXLC-SJLPKXTDSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433321 1083392581 /nfs/dbraw/zinc/39/25/81/1083392581.db2.gz ZORVSEDFPJIXLC-SJLPKXTDSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433321 1083392591 /nfs/dbraw/zinc/39/25/91/1083392591.db2.gz ZORVSEDFPJIXLC-SJLPKXTDSA-N 2 2 316.449 2.279 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001671142711 1083409147 /nfs/dbraw/zinc/40/91/47/1083409147.db2.gz ZKBPBFGWCCKQQK-KRWDZBQOSA-N 2 2 319.493 2.053 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001671142711 1083409150 /nfs/dbraw/zinc/40/91/50/1083409150.db2.gz ZKBPBFGWCCKQQK-KRWDZBQOSA-N 2 2 319.493 2.053 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001276717128 1083567214 /nfs/dbraw/zinc/56/72/14/1083567214.db2.gz MZOHDEAFCDYVDP-LUKYLMHMSA-N 2 2 316.449 2.094 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001276717128 1083567228 /nfs/dbraw/zinc/56/72/28/1083567228.db2.gz MZOHDEAFCDYVDP-LUKYLMHMSA-N 2 2 316.449 2.094 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491298463 1084221810 /nfs/dbraw/zinc/22/18/10/1084221810.db2.gz CBCZCMPHPGAQQS-DZGCQCFKSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491298463 1084221820 /nfs/dbraw/zinc/22/18/20/1084221820.db2.gz CBCZCMPHPGAQQS-DZGCQCFKSA-N 2 2 304.438 2.053 20 30 DEEDLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(Oc3ccccc3C#N)CC2)O1 ZINC001235975692 1084579222 /nfs/dbraw/zinc/57/92/22/1084579222.db2.gz NPSYHIBVCWQHRB-INIZCTEOSA-N 2 2 315.417 2.126 20 30 DEEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001078686197 1084822104 /nfs/dbraw/zinc/82/21/04/1084822104.db2.gz ZFBWNHAOIOOZTI-JKSUJKDBSA-N 2 2 311.429 2.271 20 30 DEEDLP C=CCCC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001486420259 1085293421 /nfs/dbraw/zinc/29/34/21/1085293421.db2.gz SVVIKHGZVXJSMU-HNNXBMFYSA-N 2 2 306.454 2.049 20 30 DEEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486510003 1085393960 /nfs/dbraw/zinc/39/39/60/1085393960.db2.gz ZKZRVFGVIWDDBG-KRWDZBQOSA-N 2 2 316.449 2.405 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961415171 1085724760 /nfs/dbraw/zinc/72/47/60/1085724760.db2.gz HUYFWLDLXNZSCV-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961415171 1085724772 /nfs/dbraw/zinc/72/47/72/1085724772.db2.gz HUYFWLDLXNZSCV-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000957113160 1088037543 /nfs/dbraw/zinc/03/75/43/1088037543.db2.gz AZZDDXPFLOQOER-SFHVURJKSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000957113160 1088037559 /nfs/dbraw/zinc/03/75/59/1088037559.db2.gz AZZDDXPFLOQOER-SFHVURJKSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000957113159 1088038902 /nfs/dbraw/zinc/03/89/02/1088038902.db2.gz AZZDDXPFLOQOER-GOSISDBHSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000957113159 1088038921 /nfs/dbraw/zinc/03/89/21/1088038921.db2.gz AZZDDXPFLOQOER-GOSISDBHSA-N 2 2 319.493 2.197 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001080710685 1089152229 /nfs/dbraw/zinc/15/22/29/1089152229.db2.gz ORMCSPDBKXPHQR-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274623875 1091334322 /nfs/dbraw/zinc/33/43/22/1091334322.db2.gz NRTUZSIRNOBEKD-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274623875 1091334333 /nfs/dbraw/zinc/33/43/33/1091334333.db2.gz NRTUZSIRNOBEKD-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274623875 1091334347 /nfs/dbraw/zinc/33/43/47/1091334347.db2.gz NRTUZSIRNOBEKD-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274623875 1091334360 /nfs/dbraw/zinc/33/43/60/1091334360.db2.gz NRTUZSIRNOBEKD-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273487690 1091879145 /nfs/dbraw/zinc/87/91/45/1091879145.db2.gz OIEIYHPTCOCHJI-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)O1 ZINC001236582970 1138378372 /nfs/dbraw/zinc/37/83/72/1138378372.db2.gz SNMNTXXURAAWAI-SJORKVTESA-N 2 2 315.417 2.126 20 30 DEEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)O1 ZINC001236582970 1138378376 /nfs/dbraw/zinc/37/83/76/1138378376.db2.gz SNMNTXXURAAWAI-SJORKVTESA-N 2 2 315.417 2.126 20 30 DEEDLP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001319008737 1140489749 /nfs/dbraw/zinc/48/97/49/1140489749.db2.gz KBKKLKNIRFTEOM-UHFFFAOYSA-N 2 2 312.417 2.255 20 30 DEEDLP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001319021381 1140491782 /nfs/dbraw/zinc/49/17/82/1140491782.db2.gz YOPWKUVKXAIHCF-HZPDHXFCSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001319021381 1140491788 /nfs/dbraw/zinc/49/17/88/1140491788.db2.gz YOPWKUVKXAIHCF-HZPDHXFCSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001319096864 1140503568 /nfs/dbraw/zinc/50/35/68/1140503568.db2.gz VQGKNJLWQWIFGG-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001319829048 1140747712 /nfs/dbraw/zinc/74/77/12/1140747712.db2.gz YFGBYIYDNYIRLA-HIFRSBDPSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)C[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001319920996 1140803643 /nfs/dbraw/zinc/80/36/43/1140803643.db2.gz AOQYDQUMNDLVDD-HNNXBMFYSA-N 2 2 306.454 2.233 20 30 DEEDLP C=CCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001319926761 1140804640 /nfs/dbraw/zinc/80/46/40/1140804640.db2.gz DFFZPHLDFYTVJH-CQSZACIVSA-N 2 2 300.406 2.254 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C2)C1 ZINC001246553304 1140958917 /nfs/dbraw/zinc/95/89/17/1140958917.db2.gz YAPIONDCFOHFGI-SOLBZPMBSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C2)C1 ZINC001246553304 1140958931 /nfs/dbraw/zinc/95/89/31/1140958931.db2.gz YAPIONDCFOHFGI-SOLBZPMBSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205300 1141462330 /nfs/dbraw/zinc/46/23/30/1141462330.db2.gz HFYDXTRSAREELS-CQSZACIVSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205300 1141462344 /nfs/dbraw/zinc/46/23/44/1141462344.db2.gz HFYDXTRSAREELS-CQSZACIVSA-N 2 2 300.406 2.351 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001324200366 1142029071 /nfs/dbraw/zinc/02/90/71/1142029071.db2.gz PRSOELMGCCRAAS-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001252466170 1142723537 /nfs/dbraw/zinc/72/35/37/1142723537.db2.gz NAUMCADAPMJLKB-LJQANCHMSA-N 2 2 318.461 2.146 20 30 DEEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001252466170 1142723542 /nfs/dbraw/zinc/72/35/42/1142723542.db2.gz NAUMCADAPMJLKB-LJQANCHMSA-N 2 2 318.461 2.146 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255685679 1143802057 /nfs/dbraw/zinc/80/20/57/1143802057.db2.gz UKADXNZTEIDZLB-VPSFDDGASA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255685679 1143802060 /nfs/dbraw/zinc/80/20/60/1143802060.db2.gz UKADXNZTEIDZLB-VPSFDDGASA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255685679 1143802061 /nfs/dbraw/zinc/80/20/61/1143802061.db2.gz UKADXNZTEIDZLB-VPSFDDGASA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255685679 1143802062 /nfs/dbraw/zinc/80/20/62/1143802062.db2.gz UKADXNZTEIDZLB-VPSFDDGASA-N 2 2 321.465 2.378 20 30 DEEDLP CC(C)C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)NO ZINC001256604457 1143856687 /nfs/dbraw/zinc/85/66/87/1143856687.db2.gz MJLCWRFGPMOIHO-KRWDZBQOSA-N 2 2 319.449 2.161 20 30 DEEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001278973045 1143873238 /nfs/dbraw/zinc/87/32/38/1143873238.db2.gz OIVFHELAWMGQQZ-CVEARBPZSA-N 2 2 318.465 2.224 20 30 DEEDLP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001279001294 1143893559 /nfs/dbraw/zinc/89/35/59/1143893559.db2.gz WDPLSESSMQLNAD-HOCLYGCPSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227611 1144673027 /nfs/dbraw/zinc/67/30/27/1144673027.db2.gz ZMFRTNPOFCUUNA-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227611 1144673029 /nfs/dbraw/zinc/67/30/29/1144673029.db2.gz ZMFRTNPOFCUUNA-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265227611 1144673034 /nfs/dbraw/zinc/67/30/34/1144673034.db2.gz ZMFRTNPOFCUUNA-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265227611 1144673040 /nfs/dbraw/zinc/67/30/40/1144673040.db2.gz ZMFRTNPOFCUUNA-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708779 1144732279 /nfs/dbraw/zinc/73/22/79/1144732279.db2.gz SZUPJCJMLUANIR-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708779 1144732282 /nfs/dbraw/zinc/73/22/82/1144732282.db2.gz SZUPJCJMLUANIR-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266028758 1144794238 /nfs/dbraw/zinc/79/42/38/1144794238.db2.gz CPVYZJWIXSBJFM-HUUCEWRRSA-N 2 2 318.465 2.480 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001281881115 1144917692 /nfs/dbraw/zinc/91/76/92/1144917692.db2.gz FAGAPDVGIDMSLI-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001282726473 1145149070 /nfs/dbraw/zinc/14/90/70/1145149070.db2.gz SWPIRIQCWLHTBT-HNNXBMFYSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001283650258 1145561336 /nfs/dbraw/zinc/56/13/36/1145561336.db2.gz UUUFHIGIDJJDIO-OAHLLOKOSA-N 2 2 312.417 2.499 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001283939949 1145719507 /nfs/dbraw/zinc/71/95/07/1145719507.db2.gz OXYASSXFUAVNOI-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001284056464 1145777570 /nfs/dbraw/zinc/77/75/70/1145777570.db2.gz GZRDFDARYCJTAU-WBVHZDCISA-N 2 2 302.422 2.032 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001284056464 1145777580 /nfs/dbraw/zinc/77/75/80/1145777580.db2.gz GZRDFDARYCJTAU-WBVHZDCISA-N 2 2 302.422 2.032 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001284056464 1145777589 /nfs/dbraw/zinc/77/75/89/1145777589.db2.gz GZRDFDARYCJTAU-WBVHZDCISA-N 2 2 302.422 2.032 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001284056464 1145777600 /nfs/dbraw/zinc/77/76/00/1145777600.db2.gz GZRDFDARYCJTAU-WBVHZDCISA-N 2 2 302.422 2.032 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284191743 1145815107 /nfs/dbraw/zinc/81/51/07/1145815107.db2.gz BMFMWAUEAOPMOG-LSDHHAIUSA-N 2 2 312.417 2.399 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317151793 1147667047 /nfs/dbraw/zinc/66/70/47/1147667047.db2.gz KVCHPSDQSSJEKP-HNNXBMFYSA-N 2 2 317.433 2.037 20 30 DEEDLP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317217967 1147678842 /nfs/dbraw/zinc/67/88/42/1147678842.db2.gz YSNVAIILEPJKQV-FHERZECASA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844836 1147757340 /nfs/dbraw/zinc/75/73/40/1147757340.db2.gz GAMCMPNWCKNASV-IRXDYDNUSA-N 2 2 318.465 2.408 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844836 1147757341 /nfs/dbraw/zinc/75/73/41/1147757341.db2.gz GAMCMPNWCKNASV-IRXDYDNUSA-N 2 2 318.465 2.408 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001326774039 1148241160 /nfs/dbraw/zinc/24/11/60/1148241160.db2.gz RTQOJIZJMXCNSD-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090451097 185297072 /nfs/dbraw/zinc/29/70/72/185297072.db2.gz CBZDTNPKUTZQHW-WMZOPIPTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=C(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090451097 185297073 /nfs/dbraw/zinc/29/70/73/185297073.db2.gz CBZDTNPKUTZQHW-WMZOPIPTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151339274 539527651 /nfs/dbraw/zinc/52/76/51/539527651.db2.gz DVJGAIXMWPEIOT-MRXNPFEDSA-N 2 2 316.449 2.017 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636106 355443403 /nfs/dbraw/zinc/44/34/03/355443403.db2.gz WGRRDUSGLFWVHD-QGZVFWFLSA-N 2 2 307.482 2.075 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636106 355443406 /nfs/dbraw/zinc/44/34/06/355443406.db2.gz WGRRDUSGLFWVHD-QGZVFWFLSA-N 2 2 307.482 2.075 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636106 355443408 /nfs/dbraw/zinc/44/34/08/355443408.db2.gz WGRRDUSGLFWVHD-QGZVFWFLSA-N 2 2 307.482 2.075 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636106 355443410 /nfs/dbraw/zinc/44/34/10/355443410.db2.gz WGRRDUSGLFWVHD-QGZVFWFLSA-N 2 2 307.482 2.075 20 30 DEEDLP C=CCCC[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000180780744 356059601 /nfs/dbraw/zinc/05/96/01/356059601.db2.gz OFQJUQALYPHGIO-HNNXBMFYSA-N 2 2 310.486 2.056 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCCC#N)c2cc1C ZINC000579103807 356921642 /nfs/dbraw/zinc/92/16/42/356921642.db2.gz UQGQCECZLWBXRF-HNNXBMFYSA-N 2 2 300.406 2.298 20 30 DEEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322333 358054498 /nfs/dbraw/zinc/05/44/98/358054498.db2.gz MDVBLVIKIVAQJV-BEFAXECRSA-N 2 2 312.461 2.110 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725248 359306164 /nfs/dbraw/zinc/30/61/64/359306164.db2.gz WOPNKAHUWKPWLT-NJAFHUGGSA-N 2 2 315.461 2.397 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725248 359306172 /nfs/dbraw/zinc/30/61/72/359306172.db2.gz WOPNKAHUWKPWLT-NJAFHUGGSA-N 2 2 315.461 2.397 20 30 DEEDLP C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000611393554 361590738 /nfs/dbraw/zinc/59/07/38/361590738.db2.gz WKNFBZPREPKAPV-KXBFYZLASA-N 2 2 313.445 2.494 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)C(C)C ZINC000674711143 541238767 /nfs/dbraw/zinc/23/87/67/541238767.db2.gz QGSUDWNKRBILMW-SJORKVTESA-N 2 2 317.481 2.213 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000552281963 291715358 /nfs/dbraw/zinc/71/53/58/291715358.db2.gz QJFULFBDSIZSPX-KRWDZBQOSA-N 2 2 321.428 2.328 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157318318 197179247 /nfs/dbraw/zinc/17/92/47/197179247.db2.gz ZCNDIGFMRCMNDC-QGZVFWFLSA-N 2 2 305.466 2.137 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157318318 197179249 /nfs/dbraw/zinc/17/92/49/197179249.db2.gz ZCNDIGFMRCMNDC-QGZVFWFLSA-N 2 2 305.466 2.137 20 30 DEEDLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156558252 197122761 /nfs/dbraw/zinc/12/27/61/197122761.db2.gz UYPRWXFTZAXLDT-YOEHRIQHSA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156558252 197122762 /nfs/dbraw/zinc/12/27/62/197122762.db2.gz UYPRWXFTZAXLDT-YOEHRIQHSA-N 2 2 323.400 2.276 20 30 DEEDLP Cn1cc(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1C#N ZINC000359768091 133143472 /nfs/dbraw/zinc/14/34/72/133143472.db2.gz QGOMKUYABWTTHD-AWEZNQCLSA-N 2 2 311.433 2.495 20 30 DEEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000566017263 292197683 /nfs/dbraw/zinc/19/76/83/292197683.db2.gz GEVYVKZPVMPQAI-CQSZACIVSA-N 2 2 324.384 2.068 20 30 DEEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000566017263 292197686 /nfs/dbraw/zinc/19/76/86/292197686.db2.gz GEVYVKZPVMPQAI-CQSZACIVSA-N 2 2 324.384 2.068 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131748097 401856440 /nfs/dbraw/zinc/85/64/40/401856440.db2.gz WNAMVBLEIHLOSW-RDJZCZTQSA-N 2 2 315.417 2.124 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131748097 401856443 /nfs/dbraw/zinc/85/64/43/401856443.db2.gz WNAMVBLEIHLOSW-RDJZCZTQSA-N 2 2 315.417 2.124 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000103337795 402185433 /nfs/dbraw/zinc/18/54/33/402185433.db2.gz YHOXIFAGLSYUHN-INIZCTEOSA-N 2 2 318.396 2.387 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265548795 402928382 /nfs/dbraw/zinc/92/83/82/402928382.db2.gz YFGWFQVJLJDRBC-UHFFFAOYSA-N 2 2 323.400 2.490 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000266617895 402979479 /nfs/dbraw/zinc/97/94/79/402979479.db2.gz YXLYKVAHFYVKOW-IAGOWNOFSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000266617895 402979480 /nfs/dbraw/zinc/97/94/80/402979480.db2.gz YXLYKVAHFYVKOW-IAGOWNOFSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000283977049 403236182 /nfs/dbraw/zinc/23/61/82/403236182.db2.gz MMDXRIRARMMYAI-KXPUMZMLSA-N 2 2 302.422 2.238 20 30 DEEDLP COc1ccc(CC(N)=[NH+]OCCCn2cc[nH+]c2C)cc1 ZINC000271195847 403276564 /nfs/dbraw/zinc/27/65/64/403276564.db2.gz HIWVCQBSXMOWIQ-UHFFFAOYSA-N 2 2 302.378 2.122 20 30 DEEDLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330946602 403312068 /nfs/dbraw/zinc/31/20/68/403312068.db2.gz HNLJZNBTDCELRK-JYJNAYRXSA-N 2 2 321.469 2.410 20 30 DEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238302 403999485 /nfs/dbraw/zinc/99/94/85/403999485.db2.gz ISJYEPNJMIBFIJ-FRFSOERESA-N 2 2 316.424 2.206 20 30 DEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238302 403999490 /nfs/dbraw/zinc/99/94/90/403999490.db2.gz ISJYEPNJMIBFIJ-FRFSOERESA-N 2 2 316.424 2.206 20 30 DEEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000328840021 404160160 /nfs/dbraw/zinc/16/01/60/404160160.db2.gz OPRVJVOEUTVENG-UHFFFAOYSA-N 2 2 319.453 2.221 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)s1 ZINC000378375887 404947737 /nfs/dbraw/zinc/94/77/37/404947737.db2.gz ZNZWQMLEGLMSEK-KCXAZCMYSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)s1 ZINC000378375887 404947740 /nfs/dbraw/zinc/94/77/40/404947740.db2.gz ZNZWQMLEGLMSEK-KCXAZCMYSA-N 2 2 305.447 2.303 20 30 DEEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000424128798 405015530 /nfs/dbraw/zinc/01/55/30/405015530.db2.gz CGIZOAUOGKFJSU-ZDUSSCGKSA-N 2 2 321.450 2.089 20 30 DEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000424167278 405028511 /nfs/dbraw/zinc/02/85/11/405028511.db2.gz CKEKNXREQRANKJ-WMZOPIPTSA-N 2 2 301.434 2.227 20 30 DEEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421353822 405468593 /nfs/dbraw/zinc/46/85/93/405468593.db2.gz UWCJTJDGMCZSEL-UHFFFAOYSA-N 2 2 321.446 2.127 20 30 DEEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cnc12 ZINC000584232433 405854415 /nfs/dbraw/zinc/85/44/15/405854415.db2.gz UBQARTOSCBYIGT-UHFFFAOYSA-N 2 2 324.432 2.098 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(C#N)CCC3)c2cc1C ZINC000566119899 406085920 /nfs/dbraw/zinc/08/59/20/406085920.db2.gz DBKQHUAKCSOKNJ-HNNXBMFYSA-N 2 2 312.417 2.298 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099033857 782014981 /nfs/dbraw/zinc/01/49/81/782014981.db2.gz OCABHVNWDFGNLH-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099033857 782014991 /nfs/dbraw/zinc/01/49/91/782014991.db2.gz OCABHVNWDFGNLH-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000248730647 225240199 /nfs/dbraw/zinc/24/01/99/225240199.db2.gz DEICBOMFVQUDSO-YDZRNGNQSA-N 2 2 313.445 2.294 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000248730647 225240202 /nfs/dbraw/zinc/24/02/02/225240202.db2.gz DEICBOMFVQUDSO-YDZRNGNQSA-N 2 2 313.445 2.294 20 30 DEEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CCCC1 ZINC000261876194 225258191 /nfs/dbraw/zinc/25/81/91/225258191.db2.gz PXIFNMVGEFRLPW-UHFFFAOYSA-N 2 2 301.369 2.358 20 30 DEEDLP NC(=[NH+]OCC1CCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000269870802 225386415 /nfs/dbraw/zinc/38/64/15/225386415.db2.gz MUNCMGIQPYXANE-UHFFFAOYSA-N 2 2 317.433 2.080 20 30 DEEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(C#N)n3)[nH+]c2)C1 ZINC000602574782 422434594 /nfs/dbraw/zinc/43/45/94/422434594.db2.gz NHHXMENYJCRSRR-KRWDZBQOSA-N 2 2 322.416 2.101 20 30 DEEDLP C[NH+]=C(NCC(C)(C)SC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262026526 277749604 /nfs/dbraw/zinc/74/96/04/277749604.db2.gz ZUVNFTWTQROQQT-UONOGXRCSA-N 2 2 323.510 2.483 20 30 DEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000562985804 333010967 /nfs/dbraw/zinc/01/09/67/333010967.db2.gz TTYAFMGZQFIHJN-WBVHZDCISA-N 2 2 315.417 2.030 20 30 DEEDLP COc1cc(C#N)ccc1OCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000130403351 522042765 /nfs/dbraw/zinc/04/27/65/522042765.db2.gz MOZAMYNAEJPDFT-UHFFFAOYSA-N 2 2 314.389 2.164 20 30 DEEDLP COc1cc(C#N)ccc1OCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130403351 522042778 /nfs/dbraw/zinc/04/27/78/522042778.db2.gz MOZAMYNAEJPDFT-UHFFFAOYSA-N 2 2 314.389 2.164 20 30 DEEDLP C[NH+]=C(NCc1ccoc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179227037 526387798 /nfs/dbraw/zinc/38/77/98/526387798.db2.gz PRROYNHNJWXVJI-HIFRSBDPSA-N 2 2 301.394 2.135 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)[NH+](C)C ZINC000264099592 526414353 /nfs/dbraw/zinc/41/43/53/526414353.db2.gz YMGMHFWRPGDFAK-ZDUSSCGKSA-N 2 2 306.435 2.309 20 30 DEEDLP C#CC[N@@H+](C)CCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000292832902 526829159 /nfs/dbraw/zinc/82/91/59/526829159.db2.gz PTPFCWPFLLHNKH-UHFFFAOYSA-N 2 2 309.417 2.468 20 30 DEEDLP C#CC[N@H+](C)CCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000292832902 526829166 /nfs/dbraw/zinc/82/91/66/526829166.db2.gz PTPFCWPFLLHNKH-UHFFFAOYSA-N 2 2 309.417 2.468 20 30 DEEDLP C=CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423102045 526887565 /nfs/dbraw/zinc/88/75/65/526887565.db2.gz JNOXAJDTBMZJJK-ROUUACIJSA-N 2 2 302.418 2.108 20 30 DEEDLP CCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000267864612 528561103 /nfs/dbraw/zinc/56/11/03/528561103.db2.gz IBQLXBBOCJWZEF-UHFFFAOYSA-N 2 2 305.422 2.080 20 30 DEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N[C@@H](CC)CO)[nH+]cn2)CC1 ZINC000892396942 625431754 /nfs/dbraw/zinc/43/17/54/625431754.db2.gz UGNCMXHZSUPBFP-AWEZNQCLSA-N 2 2 319.453 2.112 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001026518404 625494692 /nfs/dbraw/zinc/49/46/92/625494692.db2.gz SYAPOAULAPYCNC-WLYUNCDWSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001026518404 625494699 /nfs/dbraw/zinc/49/46/99/625494699.db2.gz SYAPOAULAPYCNC-WLYUNCDWSA-N 2 2 316.449 2.026 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612588 623833160 /nfs/dbraw/zinc/83/31/60/623833160.db2.gz COHMEAUEJLKKJS-RDTXWAMCSA-N 2 2 322.412 2.123 20 30 DEEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612588 623833167 /nfs/dbraw/zinc/83/31/67/623833167.db2.gz COHMEAUEJLKKJS-RDTXWAMCSA-N 2 2 322.412 2.123 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723862 624006458 /nfs/dbraw/zinc/00/64/58/624006458.db2.gz ZUQYRLOHGHCOBQ-NVXWUHKLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723862 624006462 /nfs/dbraw/zinc/00/64/62/624006462.db2.gz ZUQYRLOHGHCOBQ-NVXWUHKLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001022505615 624701773 /nfs/dbraw/zinc/70/17/73/624701773.db2.gz GVJMTQXQGKNHAX-IYBDPMFKSA-N 2 2 310.401 2.299 20 30 DEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001026268344 625240864 /nfs/dbraw/zinc/24/08/64/625240864.db2.gz YQVRIXIVRMPUGJ-GVDBMIGSSA-N 2 2 324.428 2.269 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996280034 633227519 /nfs/dbraw/zinc/22/75/19/633227519.db2.gz WTWNOLDERRQPQY-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001027463664 633832127 /nfs/dbraw/zinc/83/21/27/633832127.db2.gz GJBZUFGXIVMKDP-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001027463664 633832137 /nfs/dbraw/zinc/83/21/37/633832137.db2.gz GJBZUFGXIVMKDP-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997626207 633903891 /nfs/dbraw/zinc/90/38/91/633903891.db2.gz PFAVIYZRZVRNTG-NUEKZKHPSA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000997626207 633903897 /nfs/dbraw/zinc/90/38/97/633903897.db2.gz PFAVIYZRZVRNTG-NUEKZKHPSA-N 2 2 316.449 2.306 20 30 DEEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027636726 634359361 /nfs/dbraw/zinc/35/93/61/634359361.db2.gz GGNBBODAKXXNFY-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027636726 634359367 /nfs/dbraw/zinc/35/93/67/634359367.db2.gz GGNBBODAKXXNFY-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980145580 634861733 /nfs/dbraw/zinc/86/17/33/634861733.db2.gz RBNBZNTZRGSDMN-JYJNAYRXSA-N 2 2 324.428 2.351 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980145580 634861734 /nfs/dbraw/zinc/86/17/34/634861734.db2.gz RBNBZNTZRGSDMN-JYJNAYRXSA-N 2 2 324.428 2.351 20 30 DEEDLP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001821403 635555644 /nfs/dbraw/zinc/55/56/44/635555644.db2.gz BSUZXBMODBFLST-HNNXBMFYSA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)C[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981836032 635678524 /nfs/dbraw/zinc/67/85/24/635678524.db2.gz AYWPLYCAHSUUAH-UHFFFAOYSA-N 2 2 305.422 2.065 20 30 DEEDLP C=C(C)C[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981836032 635678529 /nfs/dbraw/zinc/67/85/29/635678529.db2.gz AYWPLYCAHSUUAH-UHFFFAOYSA-N 2 2 305.422 2.065 20 30 DEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042284 635841728 /nfs/dbraw/zinc/84/17/28/635841728.db2.gz KRDGTCGAQODKBW-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042284 635841731 /nfs/dbraw/zinc/84/17/31/635841731.db2.gz KRDGTCGAQODKBW-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239796 635946027 /nfs/dbraw/zinc/94/60/27/635946027.db2.gz XJRRLKKWILPUOV-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239796 635946028 /nfs/dbraw/zinc/94/60/28/635946028.db2.gz XJRRLKKWILPUOV-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004624999 636501573 /nfs/dbraw/zinc/50/15/73/636501573.db2.gz NETXCRQXUNETEK-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004624999 636501581 /nfs/dbraw/zinc/50/15/81/636501581.db2.gz NETXCRQXUNETEK-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001005527874 636760208 /nfs/dbraw/zinc/76/02/08/636760208.db2.gz DIPCLGGKNFKPCO-HUUCEWRRSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001005527874 636760211 /nfs/dbraw/zinc/76/02/11/636760211.db2.gz DIPCLGGKNFKPCO-HUUCEWRRSA-N 2 2 302.422 2.012 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073449832 637459603 /nfs/dbraw/zinc/45/96/03/637459603.db2.gz BFQNVXXOKDRGHG-CALCHBBNSA-N 2 2 316.445 2.288 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073449832 637459606 /nfs/dbraw/zinc/45/96/06/637459606.db2.gz BFQNVXXOKDRGHG-CALCHBBNSA-N 2 2 316.445 2.288 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000749110923 638615890 /nfs/dbraw/zinc/61/58/90/638615890.db2.gz UHOJVIYILQKNJH-CQSZACIVSA-N 2 2 305.447 2.353 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000986287214 639870734 /nfs/dbraw/zinc/87/07/34/639870734.db2.gz KKAYWAMUGMXZLW-HOCLYGCPSA-N 2 2 312.417 2.411 20 30 DEEDLP O=C1C=COC2(CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000897599224 640840328 /nfs/dbraw/zinc/84/03/28/640840328.db2.gz GABIZMOBCUTAEM-UHFFFAOYSA-N 2 2 324.384 2.105 20 30 DEEDLP C=CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000905777540 644031052 /nfs/dbraw/zinc/03/10/52/644031052.db2.gz GDOMOIWJUGVTAA-KRWDZBQOSA-N 2 2 317.433 2.001 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992166127 646880951 /nfs/dbraw/zinc/88/09/51/646880951.db2.gz GTXRRTGBDZMMDN-DDUZABMNSA-N 2 2 314.433 2.129 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992166127 646880953 /nfs/dbraw/zinc/88/09/53/646880953.db2.gz GTXRRTGBDZMMDN-DDUZABMNSA-N 2 2 314.433 2.129 20 30 DEEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000817982558 647400056 /nfs/dbraw/zinc/40/00/56/647400056.db2.gz FQACDHBROHMYCO-CZUORRHYSA-N 2 2 310.825 2.457 20 30 DEEDLP C=C(C)C[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949011564 647926774 /nfs/dbraw/zinc/92/67/74/647926774.db2.gz BIAKTUWUURLASP-UHFFFAOYSA-N 2 2 307.482 2.360 20 30 DEEDLP C=C(C)C[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949011564 647926779 /nfs/dbraw/zinc/92/67/79/647926779.db2.gz BIAKTUWUURLASP-UHFFFAOYSA-N 2 2 307.482 2.360 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000820846542 647930863 /nfs/dbraw/zinc/93/08/63/647930863.db2.gz HQCMDQPBXAZAMF-UHFFFAOYSA-N 2 2 300.324 2.472 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000820846542 647930866 /nfs/dbraw/zinc/93/08/66/647930866.db2.gz HQCMDQPBXAZAMF-UHFFFAOYSA-N 2 2 300.324 2.472 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942174533 649175169 /nfs/dbraw/zinc/17/51/69/649175169.db2.gz XLYKZXCQUKTZQR-GOEBONIOSA-N 2 2 317.433 2.035 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942174533 649175170 /nfs/dbraw/zinc/17/51/70/649175170.db2.gz XLYKZXCQUKTZQR-GOEBONIOSA-N 2 2 317.433 2.035 20 30 DEEDLP C[NH+](C)C[C@@](C)(C=NNCCCn1cc[nH+]c1)c1ccccc1 ZINC000848416458 651457530 /nfs/dbraw/zinc/45/75/30/651457530.db2.gz LWVAHELIKNPLPK-GOSISDBHSA-N 2 2 313.449 2.368 20 30 DEEDLP CCN(CC)c1ncc(C=[NH+]NCCCn2cc[nH+]c2)s1 ZINC000848419051 651457850 /nfs/dbraw/zinc/45/78/50/651457850.db2.gz QAAKQYOHZDFMOS-UHFFFAOYSA-N 2 2 306.439 2.200 20 30 DEEDLP CNC(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)=[NH+]C ZINC000849007151 651579496 /nfs/dbraw/zinc/57/94/96/651579496.db2.gz GMXDYAREICHOLU-HNNXBMFYSA-N 2 2 308.857 2.489 20 30 DEEDLP CNC(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)=[NH+]C ZINC000849007151 651579498 /nfs/dbraw/zinc/57/94/98/651579498.db2.gz GMXDYAREICHOLU-HNNXBMFYSA-N 2 2 308.857 2.489 20 30 DEEDLP C[NH+]=C(NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C)NC1CC1 ZINC000849028333 651587809 /nfs/dbraw/zinc/58/78/09/651587809.db2.gz HUPJZWUJJJPFDN-KRWDZBQOSA-N 2 2 318.465 2.404 20 30 DEEDLP CC(=O)c1ccc(C#N)cc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000853798337 652605017 /nfs/dbraw/zinc/60/50/17/652605017.db2.gz FBDALZRSGOUMOV-UHFFFAOYSA-N 2 2 302.422 2.056 20 30 DEEDLP CC(=O)c1ccc(C#N)cc1NCC[N@H+](C)CCC[NH+](C)C ZINC000853798337 652605019 /nfs/dbraw/zinc/60/50/19/652605019.db2.gz FBDALZRSGOUMOV-UHFFFAOYSA-N 2 2 302.422 2.056 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124542 693854768 /nfs/dbraw/zinc/85/47/68/693854768.db2.gz UCBUSPZFQCENAM-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124542 693854772 /nfs/dbraw/zinc/85/47/72/693854772.db2.gz UCBUSPZFQCENAM-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000303720083 685233032 /nfs/dbraw/zinc/23/30/32/685233032.db2.gz WITFNWIRWQGJBL-SFHVURJKSA-N 2 2 310.445 2.436 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])NCC2CCC2)[NH+](C)C)c1 ZINC000303785160 685235396 /nfs/dbraw/zinc/23/53/96/685235396.db2.gz QBMAJCMKWSXIDS-INIZCTEOSA-N 2 2 304.438 2.002 20 30 DEEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772779 694025839 /nfs/dbraw/zinc/02/58/39/694025839.db2.gz NWBDDCIGQLDWPS-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772779 694025843 /nfs/dbraw/zinc/02/58/43/694025843.db2.gz NWBDDCIGQLDWPS-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000929772779 694025845 /nfs/dbraw/zinc/02/58/45/694025845.db2.gz NWBDDCIGQLDWPS-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000929772779 694025851 /nfs/dbraw/zinc/02/58/51/694025851.db2.gz NWBDDCIGQLDWPS-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016689409 687683378 /nfs/dbraw/zinc/68/33/78/687683378.db2.gz ZNDBYVPMFHWJAU-MRXNPFEDSA-N 2 2 310.401 2.333 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001018009010 688027121 /nfs/dbraw/zinc/02/71/21/688027121.db2.gz QRULKZJLUFSZHR-ZACQAIPSSA-N 2 2 316.449 2.476 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001018009010 688027128 /nfs/dbraw/zinc/02/71/28/688027128.db2.gz QRULKZJLUFSZHR-ZACQAIPSSA-N 2 2 316.449 2.476 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033686500 689584565 /nfs/dbraw/zinc/58/45/65/689584565.db2.gz PPDUVZZDDRNJSW-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033686500 689584567 /nfs/dbraw/zinc/58/45/67/689584567.db2.gz PPDUVZZDDRNJSW-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033686500 689584570 /nfs/dbraw/zinc/58/45/70/689584570.db2.gz PPDUVZZDDRNJSW-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033686500 689584574 /nfs/dbraw/zinc/58/45/74/689584574.db2.gz PPDUVZZDDRNJSW-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001036085882 690256911 /nfs/dbraw/zinc/25/69/11/690256911.db2.gz XJKAJQUIARIBEY-HOCLYGCPSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037828722 690619498 /nfs/dbraw/zinc/61/94/98/690619498.db2.gz QHYXPFRFVDLWKY-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250722 691069279 /nfs/dbraw/zinc/06/92/79/691069279.db2.gz PQNQHLDHIXIWPM-NVXWUHKLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250722 691069280 /nfs/dbraw/zinc/06/92/80/691069280.db2.gz PQNQHLDHIXIWPM-NVXWUHKLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039395111 691096765 /nfs/dbraw/zinc/09/67/65/691096765.db2.gz VSWKTDSLNUIMAD-CABCVRRESA-N 2 2 310.401 2.428 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039395111 691096766 /nfs/dbraw/zinc/09/67/66/691096766.db2.gz VSWKTDSLNUIMAD-CABCVRRESA-N 2 2 310.401 2.428 20 30 DEEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001047261942 692404287 /nfs/dbraw/zinc/40/42/87/692404287.db2.gz KEHUMTVTHSVJKA-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049518131 692909067 /nfs/dbraw/zinc/90/90/67/692909067.db2.gz LUTSBRAICKZEGL-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049518131 692909068 /nfs/dbraw/zinc/90/90/68/692909068.db2.gz LUTSBRAICKZEGL-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049518131 692909069 /nfs/dbraw/zinc/90/90/69/692909069.db2.gz LUTSBRAICKZEGL-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049518131 692909070 /nfs/dbraw/zinc/90/90/70/692909070.db2.gz LUTSBRAICKZEGL-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052489537 693546839 /nfs/dbraw/zinc/54/68/39/693546839.db2.gz PHWZENXZCVHYBV-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052489537 693546842 /nfs/dbraw/zinc/54/68/42/693546842.db2.gz PHWZENXZCVHYBV-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001332455336 1149861862 /nfs/dbraw/zinc/86/18/62/1149861862.db2.gz YHUSVVLNXQHXNP-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001333003989 1149953715 /nfs/dbraw/zinc/95/37/15/1149953715.db2.gz FMKINWCBRZSYDC-GJZGRUSLSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001333003989 1149953739 /nfs/dbraw/zinc/95/37/39/1149953739.db2.gz FMKINWCBRZSYDC-GJZGRUSLSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001382585750 1153475859 /nfs/dbraw/zinc/47/58/59/1153475859.db2.gz KKVAOHKMSTUYTE-IYXRBSQSSA-N 2 2 310.829 2.166 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001377340269 1160238216 /nfs/dbraw/zinc/23/82/16/1160238216.db2.gz PMDIOIBXIQUDOP-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001377340269 1160238226 /nfs/dbraw/zinc/23/82/26/1160238226.db2.gz PMDIOIBXIQUDOP-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001377340269 1160238238 /nfs/dbraw/zinc/23/82/38/1160238238.db2.gz PMDIOIBXIQUDOP-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001377340269 1160238250 /nfs/dbraw/zinc/23/82/50/1160238250.db2.gz PMDIOIBXIQUDOP-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001377553641 1160540271 /nfs/dbraw/zinc/54/02/71/1160540271.db2.gz LDXWXJBKQBEVJJ-UHFFFAOYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001377553641 1160540276 /nfs/dbraw/zinc/54/02/76/1160540276.db2.gz LDXWXJBKQBEVJJ-UHFFFAOYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001377553641 1160540287 /nfs/dbraw/zinc/54/02/87/1160540287.db2.gz LDXWXJBKQBEVJJ-UHFFFAOYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001417775926 1167205631 /nfs/dbraw/zinc/20/56/31/1167205631.db2.gz KLIYTDSBXJSCJY-MCIONIFRSA-N 2 2 310.829 2.071 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001421168846 1171548812 /nfs/dbraw/zinc/54/88/12/1171548812.db2.gz LWZFNZRCVCYBRO-HNNXBMFYSA-N 2 2 324.856 2.278 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001423578564 1173424365 /nfs/dbraw/zinc/42/43/65/1173424365.db2.gz JQYFFIFLJXXQDQ-MRXNPFEDSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001423578564 1173424369 /nfs/dbraw/zinc/42/43/69/1173424369.db2.gz JQYFFIFLJXXQDQ-MRXNPFEDSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001440406421 1181489179 /nfs/dbraw/zinc/48/91/79/1181489179.db2.gz TWEKGHKCPBLMOW-CQSZACIVSA-N 2 2 324.856 2.076 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001440406421 1181489188 /nfs/dbraw/zinc/48/91/88/1181489188.db2.gz TWEKGHKCPBLMOW-CQSZACIVSA-N 2 2 324.856 2.076 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001441034028 1181832021 /nfs/dbraw/zinc/83/20/21/1181832021.db2.gz KBCUHHBLNZLRJY-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001441034028 1181832024 /nfs/dbraw/zinc/83/20/24/1181832024.db2.gz KBCUHHBLNZLRJY-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001441034028 1181832025 /nfs/dbraw/zinc/83/20/25/1181832025.db2.gz KBCUHHBLNZLRJY-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001441131669 1181862017 /nfs/dbraw/zinc/86/20/17/1181862017.db2.gz GGQIQTAATQVHFH-HNNXBMFYSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001441131669 1181862018 /nfs/dbraw/zinc/86/20/18/1181862018.db2.gz GGQIQTAATQVHFH-HNNXBMFYSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448142983 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C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315553 777030598 /nfs/dbraw/zinc/03/05/98/777030598.db2.gz VBFWTEOOFHDGEA-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039421 779650166 /nfs/dbraw/zinc/65/01/66/779650166.db2.gz NYRROAQUQRHZTE-CVEARBPZSA-N 2 2 324.428 2.304 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039421 779650169 /nfs/dbraw/zinc/65/01/69/779650169.db2.gz NYRROAQUQRHZTE-CVEARBPZSA-N 2 2 324.428 2.304 20 30 DEEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553107 783499772 /nfs/dbraw/zinc/49/97/72/783499772.db2.gz DUPVLGCSTLZAKM-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553107 783499777 /nfs/dbraw/zinc/49/97/77/783499777.db2.gz DUPVLGCSTLZAKM-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916403 783819399 /nfs/dbraw/zinc/81/93/99/783819399.db2.gz SSVRMPVMKFZURU-CXAGYDPISA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916403 783819405 /nfs/dbraw/zinc/81/94/05/783819405.db2.gz SSVRMPVMKFZURU-CXAGYDPISA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086086447 784398296 /nfs/dbraw/zinc/39/82/96/784398296.db2.gz QDKLOHSSAHZVCH-FZNQNYSPSA-N 2 2 312.417 2.317 20 30 DEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3C#N)CC1)C2 ZINC001169125457 785045078 /nfs/dbraw/zinc/04/50/78/785045078.db2.gz IPWHNOPDMAZSFK-PIIMJCKOSA-N 2 2 310.445 2.305 20 30 DEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3C#N)CC1)C2 ZINC001169125457 785045087 /nfs/dbraw/zinc/04/50/87/785045087.db2.gz IPWHNOPDMAZSFK-PIIMJCKOSA-N 2 2 310.445 2.305 20 30 DEEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727909 785512080 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DUWRRNRAHVKPFV-AWEZNQCLSA-N 2 2 307.463 2.190 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014592767 786651883 /nfs/dbraw/zinc/65/18/83/786651883.db2.gz DUWRRNRAHVKPFV-AWEZNQCLSA-N 2 2 307.463 2.190 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726267 786726490 /nfs/dbraw/zinc/72/64/90/786726490.db2.gz FGWBNCHEIFVJGM-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014726267 786726497 /nfs/dbraw/zinc/72/64/97/786726497.db2.gz FGWBNCHEIFVJGM-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014726267 786726501 /nfs/dbraw/zinc/72/65/01/786726501.db2.gz FGWBNCHEIFVJGM-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014726267 786726506 /nfs/dbraw/zinc/72/65/06/786726506.db2.gz FGWBNCHEIFVJGM-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015425538 787046916 /nfs/dbraw/zinc/04/69/16/787046916.db2.gz XCXNKSPCDDPCAO-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015425538 787046925 /nfs/dbraw/zinc/04/69/25/787046925.db2.gz XCXNKSPCDDPCAO-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132368644 788045307 /nfs/dbraw/zinc/04/53/07/788045307.db2.gz PAEKODLNXGJECK-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132368644 788045315 /nfs/dbraw/zinc/04/53/15/788045315.db2.gz PAEKODLNXGJECK-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132781742 788190815 /nfs/dbraw/zinc/19/08/15/788190815.db2.gz FOADRZHCYZYVSK-JSGCOSHPSA-N 2 2 324.856 2.169 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021573 788254012 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20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072030803 790020093 /nfs/dbraw/zinc/02/00/93/790020093.db2.gz VVLXRQDSFLKUCS-DZGCQCFKSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560653 791313730 /nfs/dbraw/zinc/31/37/30/791313730.db2.gz CJLYWFSBGNCVLP-KBPBESRZSA-N 2 2 321.490 2.165 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560653 791313735 /nfs/dbraw/zinc/31/37/35/791313735.db2.gz CJLYWFSBGNCVLP-KBPBESRZSA-N 2 2 321.490 2.165 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959610 791865134 /nfs/dbraw/zinc/86/51/34/791865134.db2.gz LKLPKBDVKPXZPJ-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293538 792570180 /nfs/dbraw/zinc/57/01/80/792570180.db2.gz YRDKKRNBEGOEMZ-NFOMZHRRSA-N 2 2 304.438 2.181 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100715397 792808075 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C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175228719 794162846 /nfs/dbraw/zinc/16/28/46/794162846.db2.gz YAAHOZHGCVIDGX-UONOGXRCSA-N 2 2 304.438 2.280 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643773 794252988 /nfs/dbraw/zinc/25/29/88/794252988.db2.gz GSKGNTIJHZXCTN-HUUCEWRRSA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643773 794252996 /nfs/dbraw/zinc/25/29/96/794252996.db2.gz GSKGNTIJHZXCTN-HUUCEWRRSA-N 2 2 306.454 2.429 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808249 795001435 /nfs/dbraw/zinc/00/14/35/795001435.db2.gz DOSGYMALRUSHAD-UHFFFAOYSA-N 2 2 306.454 2.379 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178865031 795014322 /nfs/dbraw/zinc/01/43/22/795014322.db2.gz NNIOBQGZLMIRLJ-MRXNPFEDSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278331 795450283 /nfs/dbraw/zinc/45/02/83/795450283.db2.gz DTBPAQCYVOULJA-CRAIPNDOSA-N 2 2 318.465 2.383 20 30 DEEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001120588807 795492485 /nfs/dbraw/zinc/49/24/85/795492485.db2.gz FOVKQEYCLDXWAY-NRFANRHFSA-N 2 2 322.452 2.430 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001121946085 795707989 /nfs/dbraw/zinc/70/79/89/795707989.db2.gz LPLFXKOXIVPMQJ-SJORKVTESA-N 2 2 301.434 2.185 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001121946085 795707992 /nfs/dbraw/zinc/70/79/92/795707992.db2.gz LPLFXKOXIVPMQJ-SJORKVTESA-N 2 2 301.434 2.185 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184533499 796076671 /nfs/dbraw/zinc/07/66/71/796076671.db2.gz FZHSEKYYOOVFHG-JSGCOSHPSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184533499 796076677 /nfs/dbraw/zinc/07/66/77/796076677.db2.gz FZHSEKYYOOVFHG-JSGCOSHPSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184535341 796077259 /nfs/dbraw/zinc/07/72/59/796077259.db2.gz SENQFXZARBCYFM-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184535341 796077264 /nfs/dbraw/zinc/07/72/64/796077264.db2.gz SENQFXZARBCYFM-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184535339 796077738 /nfs/dbraw/zinc/07/77/38/796077738.db2.gz SENQFXZARBCYFM-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184535339 796077740 /nfs/dbraw/zinc/07/77/40/796077740.db2.gz SENQFXZARBCYFM-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139705738 796413801 /nfs/dbraw/zinc/41/38/01/796413801.db2.gz YJLISODHMJTTHD-FUHWJXTLSA-N 2 2 324.428 2.192 20 30 DEEDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139705738 796413802 /nfs/dbraw/zinc/41/38/02/796413802.db2.gz YJLISODHMJTTHD-FUHWJXTLSA-N 2 2 324.428 2.192 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139705738 796413804 /nfs/dbraw/zinc/41/38/04/796413804.db2.gz YJLISODHMJTTHD-FUHWJXTLSA-N 2 2 324.428 2.192 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139705738 796413806 /nfs/dbraw/zinc/41/38/06/796413806.db2.gz YJLISODHMJTTHD-FUHWJXTLSA-N 2 2 324.428 2.192 20 30 DEEDLP N#Cc1ccnc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140807367 796576844 /nfs/dbraw/zinc/57/68/44/796576844.db2.gz WPPIBHAVKZNZOR-UHFFFAOYSA-N 2 2 318.384 2.152 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261692 796800941 /nfs/dbraw/zinc/80/09/41/796800941.db2.gz XCHLTRIHTHLVFK-IXDOHACOSA-N 2 2 316.449 2.333 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261692 796800945 /nfs/dbraw/zinc/80/09/45/796800945.db2.gz XCHLTRIHTHLVFK-IXDOHACOSA-N 2 2 316.449 2.333 20 30 DEEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819673 797084558 /nfs/dbraw/zinc/08/45/58/797084558.db2.gz ZUNNSVMVHIVGNS-HOTGVXAUSA-N 2 2 304.438 2.189 20 30 DEEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819673 797084565 /nfs/dbraw/zinc/08/45/65/797084565.db2.gz ZUNNSVMVHIVGNS-HOTGVXAUSA-N 2 2 304.438 2.189 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618854 797212320 /nfs/dbraw/zinc/21/23/20/797212320.db2.gz SVQUYRBJHJSTAI-QGZVFWFLSA-N 2 2 320.481 2.361 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387917 797378289 /nfs/dbraw/zinc/37/82/89/797378289.db2.gz ZPAODANTNJMXEP-AWEZNQCLSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387917 797378297 /nfs/dbraw/zinc/37/82/97/797378297.db2.gz ZPAODANTNJMXEP-AWEZNQCLSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192387917 797378310 /nfs/dbraw/zinc/37/83/10/797378310.db2.gz ZPAODANTNJMXEP-AWEZNQCLSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449866 797726077 /nfs/dbraw/zinc/72/60/77/797726077.db2.gz YEYPCEQMDNGCJL-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449866 797726080 /nfs/dbraw/zinc/72/60/80/797726080.db2.gz YEYPCEQMDNGCJL-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP N#Cc1ccc2cc[nH+]c(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001155522637 797779536 /nfs/dbraw/zinc/77/95/36/797779536.db2.gz HXSJCZNGFDCJRU-INMHGKMJSA-N 2 2 308.385 2.143 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153265 798151241 /nfs/dbraw/zinc/15/12/41/798151241.db2.gz GKEZKKPEICGCHG-WBVHZDCISA-N 2 2 318.465 2.087 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153265 798151244 /nfs/dbraw/zinc/15/12/44/798151244.db2.gz GKEZKKPEICGCHG-WBVHZDCISA-N 2 2 318.465 2.087 20 30 DEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126188 798151338 /nfs/dbraw/zinc/15/13/38/798151338.db2.gz XNNSVWZCDRRNAX-OAHLLOKOSA-N 2 2 316.449 2.330 20 30 DEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126188 798151342 /nfs/dbraw/zinc/15/13/42/798151342.db2.gz XNNSVWZCDRRNAX-OAHLLOKOSA-N 2 2 316.449 2.330 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201223908 798727553 /nfs/dbraw/zinc/72/75/53/798727553.db2.gz HLFASZPLHGHKPD-UHFFFAOYSA-N 2 2 318.465 2.473 20 30 DEEDLP N#Cc1c[nH]c2cc[nH+]c(NCC[C@H]3CC[NH2+]CC3(F)F)c12 ZINC001162813699 799181884 /nfs/dbraw/zinc/18/18/84/799181884.db2.gz YEZCPVYCNUYLRG-LLVKDONJSA-N 2 2 305.332 2.481 20 30 DEEDLP Cc1[nH+]c2c(n1-c1nc(Cl)cc(Cl)c1C#N)CC[NH2+]CC2 ZINC001165357321 799713038 /nfs/dbraw/zinc/71/30/38/799713038.db2.gz YMRLLYZMQBHSQX-UHFFFAOYSA-N 2 2 322.199 2.442 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166473736 799873257 /nfs/dbraw/zinc/87/32/57/799873257.db2.gz DTZATTKUNIANRD-UHFFFAOYSA-N 2 2 304.438 2.116 20 30 DEEDLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC001207106716 800683846 /nfs/dbraw/zinc/68/38/46/800683846.db2.gz RNEWZMKYINCTCC-RTBURBONSA-N 2 2 320.440 2.461 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209578145 801224489 /nfs/dbraw/zinc/22/44/89/801224489.db2.gz KSIWIGQGBMMDNC-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218542540 802202794 /nfs/dbraw/zinc/20/27/94/802202794.db2.gz UWDRLDXXMWGRPF-NSHDSACASA-N 2 2 318.377 2.040 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511255 802585853 /nfs/dbraw/zinc/58/58/53/802585853.db2.gz UOQXHDCJWZSUAE-ARFHVFGLSA-N 2 2 316.449 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ZINC001485457037 1080226155 /nfs/dbraw/zinc/22/61/55/1080226155.db2.gz GUCZOWXZQPUQTF-HNNXBMFYSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481648619 1080237225 /nfs/dbraw/zinc/23/72/25/1080237225.db2.gz RNUQLEHYDNYMSB-HUUCEWRRSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001485586941 1080316996 /nfs/dbraw/zinc/31/69/96/1080316996.db2.gz RTJAIOSCPSPSAW-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001485586941 1080317005 /nfs/dbraw/zinc/31/70/05/1080317005.db2.gz RTJAIOSCPSPSAW-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001660833809 1080404455 /nfs/dbraw/zinc/40/44/55/1080404455.db2.gz UUJGQKYVRDVSOI-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001660833809 1080404461 /nfs/dbraw/zinc/40/44/61/1080404461.db2.gz UUJGQKYVRDVSOI-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661226993 1080458925 /nfs/dbraw/zinc/45/89/25/1080458925.db2.gz NGSLGTBGDOMYGW-HOTGVXAUSA-N 2 2 304.438 2.191 20 30 DEEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661226993 1080458929 /nfs/dbraw/zinc/45/89/29/1080458929.db2.gz NGSLGTBGDOMYGW-HOTGVXAUSA-N 2 2 304.438 2.191 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001661555420 1080493347 /nfs/dbraw/zinc/49/33/47/1080493347.db2.gz MGWZLSDDLLARGW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001661555420 1080493348 /nfs/dbraw/zinc/49/33/48/1080493348.db2.gz MGWZLSDDLLARGW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001661727615 1080513403 /nfs/dbraw/zinc/51/34/03/1080513403.db2.gz BOHNUWMDSJTKOM-DLBZAZTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001661727615 1080513406 /nfs/dbraw/zinc/51/34/06/1080513406.db2.gz BOHNUWMDSJTKOM-DLBZAZTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001667400966 1081248384 /nfs/dbraw/zinc/24/83/84/1081248384.db2.gz PZGWSPJPQHADIL-BBRMVZONSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001270047619 1081437419 /nfs/dbraw/zinc/43/74/19/1081437419.db2.gz HPZXSABIVKBVEM-WKILWMFISA-N 2 2 304.438 2.256 20 30 DEEDLP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001626751098 1081583024 /nfs/dbraw/zinc/58/30/24/1081583024.db2.gz SOPXEXCSEDBLIA-UHFFFAOYSA-N 2 2 300.406 2.223 20 30 DEEDLP C=CC[N@H+](C)CCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001626751098 1081583031 /nfs/dbraw/zinc/58/30/31/1081583031.db2.gz SOPXEXCSEDBLIA-UHFFFAOYSA-N 2 2 300.406 2.223 20 30 DEEDLP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001673180885 1081745053 /nfs/dbraw/zinc/74/50/53/1081745053.db2.gz RTQUPEPFPFMHKI-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001482421384 1081809863 /nfs/dbraw/zinc/80/98/63/1081809863.db2.gz GDPVKFQPIQTGEW-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001482421384 1081809867 /nfs/dbraw/zinc/80/98/67/1081809867.db2.gz GDPVKFQPIQTGEW-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001482439509 1081830606 /nfs/dbraw/zinc/83/06/06/1081830606.db2.gz QUGMBPWRVJOBTI-IRXDYDNUSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001482473721 1081952397 /nfs/dbraw/zinc/95/23/97/1081952397.db2.gz STUXULGTTJIIKY-HUUCEWRRSA-N 2 2 324.856 2.242 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001266467990 1082056314 /nfs/dbraw/zinc/05/63/14/1082056314.db2.gz HPJPUBFOPMXZAU-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001266467990 1082056320 /nfs/dbraw/zinc/05/63/20/1082056320.db2.gz HPJPUBFOPMXZAU-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001271593168 1082088321 /nfs/dbraw/zinc/08/83/21/1082088321.db2.gz XCGSHVYOGQYBBY-CYBMUJFWSA-N 2 2 310.829 2.066 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001670657368 1082205343 /nfs/dbraw/zinc/20/53/43/1082205343.db2.gz WJLRJJZQBCSYTP-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001670657368 1082205346 /nfs/dbraw/zinc/20/53/46/1082205346.db2.gz WJLRJJZQBCSYTP-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001480894499 1082417202 /nfs/dbraw/zinc/41/72/02/1082417202.db2.gz BIQYNCYTKVVOHF-UHFFFAOYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001480894499 1082417206 /nfs/dbraw/zinc/41/72/06/1082417206.db2.gz BIQYNCYTKVVOHF-UHFFFAOYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001480894499 1082417210 /nfs/dbraw/zinc/41/72/10/1082417210.db2.gz BIQYNCYTKVVOHF-UHFFFAOYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001480894499 1082417214 /nfs/dbraw/zinc/41/72/14/1082417214.db2.gz BIQYNCYTKVVOHF-UHFFFAOYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266889413 1082432616 /nfs/dbraw/zinc/43/26/16/1082432616.db2.gz DNCHRODCIJAQCD-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266889413 1082432619 /nfs/dbraw/zinc/43/26/19/1082432619.db2.gz DNCHRODCIJAQCD-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[NH2+]C/C=C/CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001483009184 1082622155 /nfs/dbraw/zinc/62/21/55/1082622155.db2.gz DMTMYYHSEPSNGU-VOTSOKGWSA-N 2 2 312.417 2.485 20 30 DEEDLP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001277575842 1084041178 /nfs/dbraw/zinc/04/11/78/1084041178.db2.gz ABHXVGOFLHTOQW-JKSUJKDBSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001277682743 1084095205 /nfs/dbraw/zinc/09/52/05/1084095205.db2.gz WBOOACLKVYENMS-ZDUSSCGKSA-N 2 2 304.438 2.185 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001277682742 1084095272 /nfs/dbraw/zinc/09/52/72/1084095272.db2.gz WBOOACLKVYENMS-CYBMUJFWSA-N 2 2 304.438 2.185 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277825572 1084163934 /nfs/dbraw/zinc/16/39/34/1084163934.db2.gz DKCVVNMKOCQULP-HNNXBMFYSA-N 2 2 318.465 2.165 20 30 DEEDLP N#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001277943414 1084423075 /nfs/dbraw/zinc/42/30/75/1084423075.db2.gz WBGFDYDIYURLES-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001277943414 1084423082 /nfs/dbraw/zinc/42/30/82/1084423082.db2.gz WBGFDYDIYURLES-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001277943414 1084423085 /nfs/dbraw/zinc/42/30/85/1084423085.db2.gz WBGFDYDIYURLES-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001277943414 1084423092 /nfs/dbraw/zinc/42/30/92/1084423092.db2.gz WBGFDYDIYURLES-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001277943417 1084423200 /nfs/dbraw/zinc/42/32/00/1084423200.db2.gz WBGFDYDIYURLES-QGZVFWFLSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001277943417 1084423202 /nfs/dbraw/zinc/42/32/02/1084423202.db2.gz WBGFDYDIYURLES-QGZVFWFLSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001277943417 1084423205 /nfs/dbraw/zinc/42/32/05/1084423205.db2.gz WBGFDYDIYURLES-QGZVFWFLSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001277943417 1084423208 /nfs/dbraw/zinc/42/32/08/1084423208.db2.gz WBGFDYDIYURLES-QGZVFWFLSA-N 2 2 301.438 2.391 20 30 DEEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)O1 ZINC001235969755 1084576159 /nfs/dbraw/zinc/57/61/59/1084576159.db2.gz VYOHJUKDDWLHLR-IRXDYDNUSA-N 2 2 315.417 2.126 20 30 DEEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)O1 ZINC001235969755 1084576164 /nfs/dbraw/zinc/57/61/64/1084576164.db2.gz VYOHJUKDDWLHLR-IRXDYDNUSA-N 2 2 315.417 2.126 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001486405331 1085292089 /nfs/dbraw/zinc/29/20/89/1085292089.db2.gz NBHQGKKKQNHDLP-AWEZNQCLSA-N 2 2 306.454 2.049 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272961024 1085666069 /nfs/dbraw/zinc/66/60/69/1085666069.db2.gz QTRGFKJMTZBIHM-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000963326934 1086409843 /nfs/dbraw/zinc/40/98/43/1086409843.db2.gz ILWRFNYZTZDNJR-UHFFFAOYSA-N 2 2 324.428 2.249 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963432125 1086452401 /nfs/dbraw/zinc/45/24/01/1086452401.db2.gz AEMNEDWOEVBQQP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963432125 1086452407 /nfs/dbraw/zinc/45/24/07/1086452407.db2.gz AEMNEDWOEVBQQP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084712584 1090406647 /nfs/dbraw/zinc/40/66/47/1090406647.db2.gz NVBBJVQDUBPQKF-ZMSDIMECSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084712584 1090406650 /nfs/dbraw/zinc/40/66/50/1090406650.db2.gz NVBBJVQDUBPQKF-ZMSDIMECSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084712584 1090406653 /nfs/dbraw/zinc/40/66/53/1090406653.db2.gz NVBBJVQDUBPQKF-ZMSDIMECSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084712584 1090406656 /nfs/dbraw/zinc/40/66/56/1090406656.db2.gz NVBBJVQDUBPQKF-ZMSDIMECSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035095 1090604548 /nfs/dbraw/zinc/60/45/48/1090604548.db2.gz FVENASXTUSIOOU-ILXRZTDVSA-N 2 2 313.873 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035095 1090604550 /nfs/dbraw/zinc/60/45/50/1090604550.db2.gz FVENASXTUSIOOU-ILXRZTDVSA-N 2 2 313.873 2.002 20 30 DEEDLP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275978476 1092428564 /nfs/dbraw/zinc/42/85/64/1092428564.db2.gz RCYCIDGCWYPQQH-LJQANCHMSA-N 2 2 314.477 2.430 20 30 DEEDLP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275978476 1092428573 /nfs/dbraw/zinc/42/85/73/1092428573.db2.gz RCYCIDGCWYPQQH-LJQANCHMSA-N 2 2 314.477 2.430 20 30 DEEDLP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275978476 1092428585 /nfs/dbraw/zinc/42/85/85/1092428585.db2.gz RCYCIDGCWYPQQH-LJQANCHMSA-N 2 2 314.477 2.430 20 30 DEEDLP C#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275978476 1092428595 /nfs/dbraw/zinc/42/85/95/1092428595.db2.gz RCYCIDGCWYPQQH-LJQANCHMSA-N 2 2 314.477 2.430 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001488996049 1092874850 /nfs/dbraw/zinc/87/48/50/1092874850.db2.gz DHWXTQAHJRHGJI-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001489313428 1093015398 /nfs/dbraw/zinc/01/53/98/1093015398.db2.gz CJQNZMMADYXGEK-HYVNUMGLSA-N 2 2 301.434 2.054 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001489313428 1093015405 /nfs/dbraw/zinc/01/54/05/1093015405.db2.gz CJQNZMMADYXGEK-HYVNUMGLSA-N 2 2 301.434 2.054 20 30 DEEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274110385 1093802012 /nfs/dbraw/zinc/80/20/12/1093802012.db2.gz JBVPXOFLYDXQEN-IBGZPJMESA-N 2 2 324.428 2.477 20 30 DEEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274110385 1093802018 /nfs/dbraw/zinc/80/20/18/1093802018.db2.gz JBVPXOFLYDXQEN-IBGZPJMESA-N 2 2 324.428 2.477 20 30 DEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1OC ZINC001237394382 1138607086 /nfs/dbraw/zinc/60/70/86/1138607086.db2.gz VDQQIQOMXZDLQZ-IRXDYDNUSA-N 2 2 314.429 2.281 20 30 DEEDLP C#CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1OC ZINC001237394382 1138607100 /nfs/dbraw/zinc/60/71/00/1138607100.db2.gz VDQQIQOMXZDLQZ-IRXDYDNUSA-N 2 2 314.429 2.281 20 30 DEEDLP CCCCCCCOC(=O)N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239336703 1139023461 /nfs/dbraw/zinc/02/34/61/1139023461.db2.gz ODHWYTCOXKBUTH-MRXNPFEDSA-N 2 2 311.470 2.448 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318430204 1140328604 /nfs/dbraw/zinc/32/86/04/1140328604.db2.gz XFRZLIITCWFVFL-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318430204 1140328614 /nfs/dbraw/zinc/32/86/14/1140328614.db2.gz XFRZLIITCWFVFL-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319125689 1140509097 /nfs/dbraw/zinc/50/90/97/1140509097.db2.gz PAGJBJBZPMLPHU-UKRRQHHQSA-N 2 2 304.438 2.196 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246034378 1140851199 /nfs/dbraw/zinc/85/11/99/1140851199.db2.gz NGKULFRCPUHBDT-IAGOWNOFSA-N 2 2 300.487 2.144 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246034378 1140851200 /nfs/dbraw/zinc/85/12/00/1140851200.db2.gz NGKULFRCPUHBDT-IAGOWNOFSA-N 2 2 300.487 2.144 20 30 DEEDLP N#C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246338945 1140885504 /nfs/dbraw/zinc/88/55/04/1140885504.db2.gz BGDNBIHWOUNTON-HOTGVXAUSA-N 2 2 318.852 2.152 20 30 DEEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC001246523929 1140936146 /nfs/dbraw/zinc/93/61/46/1140936146.db2.gz CHGULWZSFJPEPQ-MRXNPFEDSA-N 2 2 321.465 2.239 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001278459452 1141021170 /nfs/dbraw/zinc/02/11/70/1141021170.db2.gz KHZJWPGLHCYUOL-YJBOKZPZSA-N 2 2 316.449 2.042 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001278459452 1141021180 /nfs/dbraw/zinc/02/11/80/1141021180.db2.gz KHZJWPGLHCYUOL-YJBOKZPZSA-N 2 2 316.449 2.042 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322582714 1141637016 /nfs/dbraw/zinc/63/70/16/1141637016.db2.gz VLEWFWFTFBSLNC-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP CCCCCCC[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001323953387 1141914719 /nfs/dbraw/zinc/91/47/19/1141914719.db2.gz BYQNJCJYAVVGRR-UHFFFAOYSA-N 2 2 306.454 2.305 20 30 DEEDLP CC[C@H](CC#N)[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001255167630 1143461324 /nfs/dbraw/zinc/46/13/24/1143461324.db2.gz DOCRMWRLQPRGNC-OAHLLOKOSA-N 2 2 301.438 2.029 20 30 DEEDLP CC[C@H](CC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001255167630 1143461345 /nfs/dbraw/zinc/46/13/45/1143461345.db2.gz DOCRMWRLQPRGNC-OAHLLOKOSA-N 2 2 301.438 2.029 20 30 DEEDLP C=C[C@@H]1C[C@]1([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001256853524 1143870699 /nfs/dbraw/zinc/87/06/99/1143870699.db2.gz ICNKJNNQGYHLBQ-RDTXWAMCSA-N 2 2 315.417 2.148 20 30 DEEDLP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264121807 1144473772 /nfs/dbraw/zinc/47/37/72/1144473772.db2.gz AADJOMFCMJESRV-IRXDYDNUSA-N 2 2 316.449 2.218 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001264645928 1144585604 /nfs/dbraw/zinc/58/56/04/1144585604.db2.gz XJTSMQBBIGBXSS-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001264645928 1144585609 /nfs/dbraw/zinc/58/56/09/1144585609.db2.gz XJTSMQBBIGBXSS-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264645928 1144585613 /nfs/dbraw/zinc/58/56/13/1144585613.db2.gz XJTSMQBBIGBXSS-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264645928 1144585617 /nfs/dbraw/zinc/58/56/17/1144585617.db2.gz XJTSMQBBIGBXSS-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265657935 1144723494 /nfs/dbraw/zinc/72/34/94/1144723494.db2.gz NODQDQSRUAXSAU-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265657935 1144723497 /nfs/dbraw/zinc/72/34/97/1144723497.db2.gz NODQDQSRUAXSAU-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CCC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001279645984 1144826499 /nfs/dbraw/zinc/82/64/99/1144826499.db2.gz XSVWRNLUZDQUIP-OAHLLOKOSA-N 2 2 302.422 2.159 20 30 DEEDLP C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001279645984 1144826501 /nfs/dbraw/zinc/82/65/01/1144826501.db2.gz XSVWRNLUZDQUIP-OAHLLOKOSA-N 2 2 302.422 2.159 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480650001 1145811989 /nfs/dbraw/zinc/81/19/89/1145811989.db2.gz BJAMPPOBNVFSCC-HNNXBMFYSA-N 2 2 317.433 2.037 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001365869749 1146034877 /nfs/dbraw/zinc/03/48/77/1146034877.db2.gz IWFTYMCFKSMVLA-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001365869749 1146034881 /nfs/dbraw/zinc/03/48/81/1146034881.db2.gz IWFTYMCFKSMVLA-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001365869749 1146034869 /nfs/dbraw/zinc/03/48/69/1146034869.db2.gz IWFTYMCFKSMVLA-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001365869749 1146034874 /nfs/dbraw/zinc/03/48/74/1146034874.db2.gz IWFTYMCFKSMVLA-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316942780 1147636237 /nfs/dbraw/zinc/63/62/37/1147636237.db2.gz FTAHLDKFTBEFJI-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316942780 1147636239 /nfs/dbraw/zinc/63/62/39/1147636239.db2.gz FTAHLDKFTBEFJI-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316942780 1147636242 /nfs/dbraw/zinc/63/62/42/1147636242.db2.gz FTAHLDKFTBEFJI-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316942780 1147636244 /nfs/dbraw/zinc/63/62/44/1147636244.db2.gz FTAHLDKFTBEFJI-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317341615 1147693132 /nfs/dbraw/zinc/69/31/32/1147693132.db2.gz BAPHRKKAPHZHGC-AWEZNQCLSA-N 2 2 304.438 2.092 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805106 1147754255 /nfs/dbraw/zinc/75/42/55/1147754255.db2.gz ILICHTRKQWAMJK-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805106 1147754257 /nfs/dbraw/zinc/75/42/57/1147754257.db2.gz ILICHTRKQWAMJK-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001367869765 1147763824 /nfs/dbraw/zinc/76/38/24/1147763824.db2.gz UXUFFPHXORZANW-KBPBESRZSA-N 2 2 324.856 2.278 20 30 DEEDLP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324935395 1147860064 /nfs/dbraw/zinc/86/00/64/1147860064.db2.gz DLDYIYWKNYCEAP-IBGZPJMESA-N 2 2 324.428 2.108 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324935395 1147860066 /nfs/dbraw/zinc/86/00/66/1147860066.db2.gz DLDYIYWKNYCEAP-IBGZPJMESA-N 2 2 324.428 2.108 20 30 DEEDLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001325862726 1148009883 /nfs/dbraw/zinc/00/98/83/1148009883.db2.gz JCHJHXISLIDAMN-HNNXBMFYSA-N 2 2 314.433 2.351 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001326273076 1148067567 /nfs/dbraw/zinc/06/75/67/1148067567.db2.gz QDPFWWDRVNLPDX-OAHLLOKOSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327162545 1148340419 /nfs/dbraw/zinc/34/04/19/1148340419.db2.gz JOUSXLOAXGWGNA-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327162545 1148340428 /nfs/dbraw/zinc/34/04/28/1148340428.db2.gz JOUSXLOAXGWGNA-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000159665170 186134276 /nfs/dbraw/zinc/13/42/76/186134276.db2.gz HDPUDFURWPPLOF-UHFFFAOYSA-N 2 2 317.408 2.242 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)ccc2[nH+]1 ZINC000328610856 539908709 /nfs/dbraw/zinc/90/87/09/539908709.db2.gz OASXGIRHVIWGMV-OAHLLOKOSA-N 2 2 311.389 2.134 20 30 DEEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322335 358054250 /nfs/dbraw/zinc/05/42/50/358054250.db2.gz MDVBLVIKIVAQJV-HNAYVOBHSA-N 2 2 312.461 2.110 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000594495735 358283484 /nfs/dbraw/zinc/28/34/84/358283484.db2.gz UVJGOAAMTSVWPA-MRXNPFEDSA-N 2 2 303.381 2.040 20 30 DEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000187691118 200145388 /nfs/dbraw/zinc/14/53/88/200145388.db2.gz HRFYQPJZLYBDKU-OAHLLOKOSA-N 2 2 301.434 2.398 20 30 DEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000187691118 200145390 /nfs/dbraw/zinc/14/53/90/200145390.db2.gz HRFYQPJZLYBDKU-OAHLLOKOSA-N 2 2 301.434 2.398 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000275443128 212335342 /nfs/dbraw/zinc/33/53/42/212335342.db2.gz GANVUDUSKPHLOT-PBHICJAKSA-N 2 2 314.364 2.441 20 30 DEEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000271798916 209224885 /nfs/dbraw/zinc/22/48/85/209224885.db2.gz KSIQJBAQEKGOPR-UHFFFAOYSA-N 2 2 315.417 2.065 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001369428850 1148976737 /nfs/dbraw/zinc/97/67/37/1148976737.db2.gz OZWWPRGKVSIZGF-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001369428850 1148976764 /nfs/dbraw/zinc/97/67/64/1148976764.db2.gz OZWWPRGKVSIZGF-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000564722704 292106859 /nfs/dbraw/zinc/10/68/59/292106859.db2.gz ZMUJFBZZKXYAOJ-UHFFFAOYSA-N 3 2 324.472 2.422 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000305635553 145343746 /nfs/dbraw/zinc/34/37/46/145343746.db2.gz HMYPWZJUGGAYJK-VQTJNVASSA-N 2 2 321.424 2.283 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000305635553 145343748 /nfs/dbraw/zinc/34/37/48/145343748.db2.gz HMYPWZJUGGAYJK-VQTJNVASSA-N 2 2 321.424 2.283 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292521 148083623 /nfs/dbraw/zinc/08/36/23/148083623.db2.gz CLZKVRMLRPDYER-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292521 148083624 /nfs/dbraw/zinc/08/36/24/148083624.db2.gz CLZKVRMLRPDYER-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP NC(=[NH+]OCc1ccon1)c1ccccc1C[NH+]1CCCCC1 ZINC000077239221 401807311 /nfs/dbraw/zinc/80/73/11/401807311.db2.gz WSTBNEIGBBPKDB-UHFFFAOYSA-N 2 2 314.389 2.498 20 30 DEEDLP CCCOc1ccc(/C=[NH+]/[C@@H](C)CN2CC[NH+](C)CC2)c(O)c1 ZINC000106586414 402214426 /nfs/dbraw/zinc/21/44/26/402214426.db2.gz XYRVAEHSWXHOBO-SJPXOZHESA-N 2 2 319.449 2.236 20 30 DEEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181781719 402657165 /nfs/dbraw/zinc/65/71/65/402657165.db2.gz OFJGGUHOLHMRGD-JKSUJKDBSA-N 2 2 317.433 2.208 20 30 DEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1C[C@H]1C ZINC000262575280 402727168 /nfs/dbraw/zinc/72/71/68/402727168.db2.gz OBWREWPSMCEWQP-QLFBSQMISA-N 2 2 304.438 2.380 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265472567 402922293 /nfs/dbraw/zinc/92/22/93/402922293.db2.gz IQMPEQOHZIYBPP-ZDUSSCGKSA-N 2 2 323.400 2.488 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000343532100 403625257 /nfs/dbraw/zinc/62/52/57/403625257.db2.gz OQLHBMAWHXPTHB-UHFFFAOYSA-N 2 2 322.412 2.478 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1F ZINC000340920491 403697510 /nfs/dbraw/zinc/69/75/10/403697510.db2.gz RTHSQXDIHTZSIE-IXDOHACOSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1F ZINC000340920491 403697516 /nfs/dbraw/zinc/69/75/16/403697516.db2.gz RTHSQXDIHTZSIE-IXDOHACOSA-N 2 2 317.408 2.381 20 30 DEEDLP C#CCNC(=O)CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000294104009 403648857 /nfs/dbraw/zinc/64/88/57/403648857.db2.gz MNNMHXBIITWZSK-UHFFFAOYSA-N 2 2 324.428 2.121 20 30 DEEDLP C=CC[N@H+](C)CCN(CC)Cc1[nH+]ccn1CC(F)(F)F ZINC000411640436 403921459 /nfs/dbraw/zinc/92/14/59/403921459.db2.gz KNZNOBNFMBJFFO-UHFFFAOYSA-N 2 2 304.360 2.385 20 30 DEEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000329176305 404254441 /nfs/dbraw/zinc/25/44/41/404254441.db2.gz LTGCELPZVNGLFF-HUUCEWRRSA-N 2 2 320.437 2.421 20 30 DEEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000329176305 404254450 /nfs/dbraw/zinc/25/44/50/404254450.db2.gz LTGCELPZVNGLFF-HUUCEWRRSA-N 2 2 320.437 2.421 20 30 DEEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCCn3cc[nH+]c31)C2 ZINC000329603377 404391738 /nfs/dbraw/zinc/39/17/38/404391738.db2.gz YKULCUYUXUTKKA-UONOGXRCSA-N 2 2 313.405 2.485 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000415110681 404810237 /nfs/dbraw/zinc/81/02/37/404810237.db2.gz NQLMXQNPKRNQMZ-CQSZACIVSA-N 2 2 310.825 2.454 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000415110681 404810239 /nfs/dbraw/zinc/81/02/39/404810239.db2.gz NQLMXQNPKRNQMZ-CQSZACIVSA-N 2 2 310.825 2.454 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360345494 404825874 /nfs/dbraw/zinc/82/58/74/404825874.db2.gz QKICVNRFMCTCQG-MRXNPFEDSA-N 2 2 305.466 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360345494 404825877 /nfs/dbraw/zinc/82/58/77/404825877.db2.gz QKICVNRFMCTCQG-MRXNPFEDSA-N 2 2 305.466 2.136 20 30 DEEDLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000361125229 404932242 /nfs/dbraw/zinc/93/22/42/404932242.db2.gz WQWJMGARMSCHEK-UHFFFAOYSA-N 2 2 309.454 2.324 20 30 DEEDLP C=CCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000424168345 405028707 /nfs/dbraw/zinc/02/87/07/405028707.db2.gz FKSHRNKYAIOTSM-UHFFFAOYSA-N 2 2 311.433 2.218 20 30 DEEDLP Cc1cc(NCc2ccccc2OCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000425231526 405261380 /nfs/dbraw/zinc/26/13/80/405261380.db2.gz VVZRTCBNCLGKIO-UHFFFAOYSA-N 2 2 310.401 2.236 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611748 405466712 /nfs/dbraw/zinc/46/67/12/405466712.db2.gz PEVVPKBUCCFVJJ-LSDHHAIUSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611748 405466716 /nfs/dbraw/zinc/46/67/16/405466716.db2.gz PEVVPKBUCCFVJJ-LSDHHAIUSA-N 2 2 321.490 2.322 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423495158 405826199 /nfs/dbraw/zinc/82/61/99/405826199.db2.gz DYJMKSVVNZMSPO-HKUYNNGSSA-N 3 2 312.461 2.240 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575878287 406827336 /nfs/dbraw/zinc/82/73/36/406827336.db2.gz DKLVQJNWZBRECM-CABCVRRESA-N 2 2 304.438 2.023 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575878287 406827338 /nfs/dbraw/zinc/82/73/38/406827338.db2.gz DKLVQJNWZBRECM-CABCVRRESA-N 2 2 304.438 2.023 20 30 DEEDLP C=CCC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000641786740 406891821 /nfs/dbraw/zinc/89/18/21/406891821.db2.gz RVBROOPBOUXBMQ-RTBURBONSA-N 2 2 321.509 2.117 20 30 DEEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nn1 ZINC000657387504 425322025 /nfs/dbraw/zinc/32/20/25/425322025.db2.gz WLGZHUQYSOKXBV-UHFFFAOYSA-N 2 2 303.454 2.351 20 30 DEEDLP C[NH+]=C(NCc1ccoc1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179227049 275408666 /nfs/dbraw/zinc/40/86/66/275408666.db2.gz PRROYNHNJWXVJI-ZFWWWQNUSA-N 2 2 301.394 2.135 20 30 DEEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000192787225 289882312 /nfs/dbraw/zinc/88/23/12/289882312.db2.gz MDJKLTUUSMKLQK-WBVHZDCISA-N 3 2 304.482 2.217 20 30 DEEDLP Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c[nH+]1 ZINC000575384243 326237131 /nfs/dbraw/zinc/23/71/31/326237131.db2.gz OHBCAVOTXLDFQX-UHFFFAOYSA-N 2 2 307.401 2.407 20 30 DEEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000583476884 333364716 /nfs/dbraw/zinc/36/47/16/333364716.db2.gz BOQAIKWEYCCIBS-UHFFFAOYSA-N 2 2 321.428 2.412 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245623 1149078257 /nfs/dbraw/zinc/07/82/57/1149078257.db2.gz VRJKVQONZCRPDM-CJNGLKHVSA-N 2 2 318.465 2.442 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245623 1149078265 /nfs/dbraw/zinc/07/82/65/1149078265.db2.gz VRJKVQONZCRPDM-CJNGLKHVSA-N 2 2 318.465 2.442 20 30 DEEDLP CCCC[N@H+](C)CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001327978288 1148690617 /nfs/dbraw/zinc/69/06/17/1148690617.db2.gz NMLAKJIHCPPLEL-UHFFFAOYSA-N 2 2 302.422 2.208 20 30 DEEDLP CCCC[N@@H+](C)CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001327978288 1148690626 /nfs/dbraw/zinc/69/06/26/1148690626.db2.gz NMLAKJIHCPPLEL-UHFFFAOYSA-N 2 2 302.422 2.208 20 30 DEEDLP C=CCOCC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103317 526767653 /nfs/dbraw/zinc/76/76/53/526767653.db2.gz PGLBKHSYPWDUGM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103317 526767659 /nfs/dbraw/zinc/76/76/59/526767659.db2.gz PGLBKHSYPWDUGM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103317 526767662 /nfs/dbraw/zinc/76/76/62/526767662.db2.gz PGLBKHSYPWDUGM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103317 526767668 /nfs/dbraw/zinc/76/76/68/526767668.db2.gz PGLBKHSYPWDUGM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103312 526769137 /nfs/dbraw/zinc/76/91/37/526769137.db2.gz PGLBKHSYPWDUGM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103312 526769139 /nfs/dbraw/zinc/76/91/39/526769139.db2.gz PGLBKHSYPWDUGM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103312 526769140 /nfs/dbraw/zinc/76/91/40/526769140.db2.gz PGLBKHSYPWDUGM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339103312 526769141 /nfs/dbraw/zinc/76/91/41/526769141.db2.gz PGLBKHSYPWDUGM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000130699757 527407360 /nfs/dbraw/zinc/40/73/60/527407360.db2.gz IVSJSBAOJQHXBC-UHFFFAOYSA-N 2 2 311.389 2.024 20 30 DEEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000130699757 527407378 /nfs/dbraw/zinc/40/73/78/527407378.db2.gz IVSJSBAOJQHXBC-UHFFFAOYSA-N 2 2 311.389 2.024 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256721 625311813 /nfs/dbraw/zinc/31/18/13/625311813.db2.gz ZOTDRGVHWRYUAD-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025256721 625311816 /nfs/dbraw/zinc/31/18/16/625311816.db2.gz ZOTDRGVHWRYUAD-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459766 625452985 /nfs/dbraw/zinc/45/29/85/625452985.db2.gz SCSTWWXELZIKQJ-ZIAGYGMSSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459766 625452988 /nfs/dbraw/zinc/45/29/88/625452988.db2.gz SCSTWWXELZIKQJ-ZIAGYGMSSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[NH2+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001026536013 625503659 /nfs/dbraw/zinc/50/36/59/625503659.db2.gz QGXGYZLGOJSILM-UHFFFAOYSA-N 2 2 322.412 2.136 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630691 625942927 /nfs/dbraw/zinc/94/29/27/625942927.db2.gz VDWYAWUXWNNHAL-HNNXBMFYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630691 625942936 /nfs/dbraw/zinc/94/29/36/625942936.db2.gz VDWYAWUXWNNHAL-HNNXBMFYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645422 625951031 /nfs/dbraw/zinc/95/10/31/625951031.db2.gz ABKFVKUYIYWZOP-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645422 625951036 /nfs/dbraw/zinc/95/10/36/625951036.db2.gz ABKFVKUYIYWZOP-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048492 633398436 /nfs/dbraw/zinc/39/84/36/633398436.db2.gz IORFZUQSLVXIJF-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048492 633398440 /nfs/dbraw/zinc/39/84/40/633398440.db2.gz IORFZUQSLVXIJF-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048492 633398441 /nfs/dbraw/zinc/39/84/41/633398441.db2.gz IORFZUQSLVXIJF-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048492 633398442 /nfs/dbraw/zinc/39/84/42/633398442.db2.gz IORFZUQSLVXIJF-KGLIPLIRSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977414522 633975153 /nfs/dbraw/zinc/97/51/53/633975153.db2.gz LZXLNWNZBMENCQ-KRWDZBQOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977414522 633975155 /nfs/dbraw/zinc/97/51/55/633975155.db2.gz LZXLNWNZBMENCQ-KRWDZBQOSA-N 2 2 324.428 2.499 20 30 DEEDLP CSc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000925772900 634987254 /nfs/dbraw/zinc/98/72/54/634987254.db2.gz LERPZFPTEUJLNN-DOTOQJQBSA-N 2 2 317.458 2.137 20 30 DEEDLP C=CC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000687321 635266347 /nfs/dbraw/zinc/26/63/47/635266347.db2.gz YJPICDMQTAMKPR-UHFFFAOYSA-N 2 2 310.401 2.191 20 30 DEEDLP C=CC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000687321 635266350 /nfs/dbraw/zinc/26/63/50/635266350.db2.gz YJPICDMQTAMKPR-UHFFFAOYSA-N 2 2 310.401 2.191 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981932949 635736954 /nfs/dbraw/zinc/73/69/54/635736954.db2.gz GACMQOREXQFFLE-HNNXBMFYSA-N 2 2 316.449 2.330 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981932949 635736957 /nfs/dbraw/zinc/73/69/57/635736957.db2.gz GACMQOREXQFFLE-HNNXBMFYSA-N 2 2 316.449 2.330 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004586460 636494747 /nfs/dbraw/zinc/49/47/47/636494747.db2.gz TUEOYGXXVGTWIC-INIZCTEOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004586460 636494750 /nfs/dbraw/zinc/49/47/50/636494750.db2.gz TUEOYGXXVGTWIC-INIZCTEOSA-N 2 2 316.449 2.231 20 30 DEEDLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC(C)(C)C#N)nc[nH+]1 ZINC000925372594 637030383 /nfs/dbraw/zinc/03/03/83/637030383.db2.gz XJQSOALNZCQKOO-KBPBESRZSA-N 2 2 316.453 2.405 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875398 637034920 /nfs/dbraw/zinc/03/49/20/637034920.db2.gz OZFKYNPYOIIGFP-IYBDPMFKSA-N 2 2 316.449 2.007 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875398 637034926 /nfs/dbraw/zinc/03/49/26/637034926.db2.gz OZFKYNPYOIIGFP-IYBDPMFKSA-N 2 2 316.449 2.007 20 30 DEEDLP CN(C)c1[nH+]cc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)n1C ZINC000905078241 643777477 /nfs/dbraw/zinc/77/74/77/643777477.db2.gz OXHTZGLDTPFFQS-KTKRTIGZSA-N 2 2 312.417 2.444 20 30 DEEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000905549453 643959078 /nfs/dbraw/zinc/95/90/78/643959078.db2.gz GESRALMMTSVDJV-RTBURBONSA-N 2 2 324.428 2.269 20 30 DEEDLP C=CCN1CCN(C[N@@H+](C)CCCc2[nH+]ccn2CCC)C1=O ZINC000840054757 645799037 /nfs/dbraw/zinc/79/90/37/645799037.db2.gz LEJNWDCZZQSPAF-UHFFFAOYSA-N 2 2 319.453 2.039 20 30 DEEDLP C=CCN1CCN(C[N@H+](C)CCCc2[nH+]ccn2CCC)C1=O ZINC000840054757 645799044 /nfs/dbraw/zinc/79/90/44/645799044.db2.gz LEJNWDCZZQSPAF-UHFFFAOYSA-N 2 2 319.453 2.039 20 30 DEEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000817917431 647381222 /nfs/dbraw/zinc/38/12/22/647381222.db2.gz GPKBVKQOFBSWBW-FVQBIDKESA-N 2 2 317.433 2.464 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993399357 647649221 /nfs/dbraw/zinc/64/92/21/647649221.db2.gz SSQMEONJHXOFQI-UKRRQHHQSA-N 2 2 319.474 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993399357 647649224 /nfs/dbraw/zinc/64/92/24/647649224.db2.gz SSQMEONJHXOFQI-UKRRQHHQSA-N 2 2 319.474 2.026 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941021969 648987541 /nfs/dbraw/zinc/98/75/41/648987541.db2.gz HHENCJVRUMYQER-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941021969 648987544 /nfs/dbraw/zinc/98/75/44/648987544.db2.gz HHENCJVRUMYQER-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186498 649018444 /nfs/dbraw/zinc/01/84/44/649018444.db2.gz KRZSLDWVJYWVHU-MRXNPFEDSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186498 649018445 /nfs/dbraw/zinc/01/84/45/649018445.db2.gz KRZSLDWVJYWVHU-MRXNPFEDSA-N 2 2 318.465 2.444 20 30 DEEDLP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000733322156 649542427 /nfs/dbraw/zinc/54/24/27/649542427.db2.gz ANKPNINILNPSRV-CALCHBBNSA-N 2 2 316.445 2.288 20 30 DEEDLP C#CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000733322156 649542429 /nfs/dbraw/zinc/54/24/29/649542429.db2.gz ANKPNINILNPSRV-CALCHBBNSA-N 2 2 316.445 2.288 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952402476 649553797 /nfs/dbraw/zinc/55/37/97/649553797.db2.gz WNFBRZYKNGKLMV-KRWDZBQOSA-N 2 2 307.482 2.358 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952402476 649553802 /nfs/dbraw/zinc/55/38/02/649553802.db2.gz WNFBRZYKNGKLMV-KRWDZBQOSA-N 2 2 307.482 2.358 20 30 DEEDLP CNC(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)=[NH+]C ZINC000849007152 651579818 /nfs/dbraw/zinc/57/98/18/651579818.db2.gz GMXDYAREICHOLU-OAHLLOKOSA-N 2 2 308.857 2.489 20 30 DEEDLP CNC(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)=[NH+]C ZINC000849007152 651579827 /nfs/dbraw/zinc/57/98/27/651579827.db2.gz GMXDYAREICHOLU-OAHLLOKOSA-N 2 2 308.857 2.489 20 30 DEEDLP C[NH+]=C(NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)NC1CC1 ZINC000849033236 651589485 /nfs/dbraw/zinc/58/94/85/651589485.db2.gz XHWGRNPPQDNJBR-HNNXBMFYSA-N 2 2 306.479 2.339 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212484 693884834 /nfs/dbraw/zinc/88/48/34/693884834.db2.gz HVZKXXKMWCUUAS-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212484 693884838 /nfs/dbraw/zinc/88/48/38/693884838.db2.gz HVZKXXKMWCUUAS-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212484 693884840 /nfs/dbraw/zinc/88/48/40/693884840.db2.gz HVZKXXKMWCUUAS-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212484 693884843 /nfs/dbraw/zinc/88/48/43/693884843.db2.gz HVZKXXKMWCUUAS-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP COc1cccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)c1 ZINC000303777831 685234258 /nfs/dbraw/zinc/23/42/58/685234258.db2.gz IZVUSYHEFARJSR-MRXNPFEDSA-N 2 2 304.438 2.099 20 30 DEEDLP C=CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001054940366 694076618 /nfs/dbraw/zinc/07/66/18/694076618.db2.gz CAMQGEPXLZIUPA-PBHICJAKSA-N 2 2 310.401 2.108 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018027858 688032439 /nfs/dbraw/zinc/03/24/39/688032439.db2.gz CTHSDMQJJIDULX-BBWFWOEESA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018027858 688032443 /nfs/dbraw/zinc/03/24/43/688032443.db2.gz CTHSDMQJJIDULX-BBWFWOEESA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018027858 688032451 /nfs/dbraw/zinc/03/24/51/688032451.db2.gz CTHSDMQJJIDULX-BBWFWOEESA-N 2 2 305.466 2.111 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018027858 688032457 /nfs/dbraw/zinc/03/24/57/688032457.db2.gz CTHSDMQJJIDULX-BBWFWOEESA-N 2 2 305.466 2.111 20 30 DEEDLP C=C(C)CC[NH+]1CC(NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001030388978 688679411 /nfs/dbraw/zinc/67/94/11/688679411.db2.gz SOTMSMCDLLFTJE-UHFFFAOYSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CCC[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098040 689062586 /nfs/dbraw/zinc/06/25/86/689062586.db2.gz GKGBVUDKRBGTEC-UHFFFAOYSA-N 2 2 310.401 2.110 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033871066 689645462 /nfs/dbraw/zinc/64/54/62/689645462.db2.gz BMNOFZHYSZMBPJ-OAHLLOKOSA-N 2 2 310.401 2.123 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033871066 689645464 /nfs/dbraw/zinc/64/54/64/689645464.db2.gz BMNOFZHYSZMBPJ-OAHLLOKOSA-N 2 2 310.401 2.123 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034403074 689837306 /nfs/dbraw/zinc/83/73/06/689837306.db2.gz ZPDDKBQRDMLCDY-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034403074 689837308 /nfs/dbraw/zinc/83/73/08/689837308.db2.gz ZPDDKBQRDMLCDY-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716449 690443703 /nfs/dbraw/zinc/44/37/03/690443703.db2.gz GEDYBHNGQMHDSL-IRXDYDNUSA-N 2 2 324.428 2.365 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716449 690443704 /nfs/dbraw/zinc/44/37/04/690443704.db2.gz GEDYBHNGQMHDSL-IRXDYDNUSA-N 2 2 324.428 2.365 20 30 DEEDLP C[NH+](C)CC1(O)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000931480268 694408412 /nfs/dbraw/zinc/40/84/12/694408412.db2.gz RRLFUCHONVOETI-UHFFFAOYSA-N 2 2 306.837 2.080 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039132818 691029813 /nfs/dbraw/zinc/02/98/13/691029813.db2.gz BTQVTVOPTKLDPH-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039132818 691029814 /nfs/dbraw/zinc/02/98/14/691029814.db2.gz BTQVTVOPTKLDPH-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039132818 691029817 /nfs/dbraw/zinc/02/98/17/691029817.db2.gz BTQVTVOPTKLDPH-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039132818 691029818 /nfs/dbraw/zinc/02/98/18/691029818.db2.gz BTQVTVOPTKLDPH-MRXNPFEDSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224226 691060307 /nfs/dbraw/zinc/06/03/07/691060307.db2.gz DPODJPWFCBHANA-SJORKVTESA-N 2 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2.413 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007443696 784922332 /nfs/dbraw/zinc/92/23/32/784922332.db2.gz NNJHFQULQJVNJH-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007443696 784922334 /nfs/dbraw/zinc/92/23/34/784922334.db2.gz NNJHFQULQJVNJH-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491424 787404126 /nfs/dbraw/zinc/40/41/26/787404126.db2.gz SGAMDIJSWLSYJW-HNNXBMFYSA-N 2 2 318.465 2.275 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491424 787404132 /nfs/dbraw/zinc/40/41/32/787404132.db2.gz SGAMDIJSWLSYJW-HNNXBMFYSA-N 2 2 318.465 2.275 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264894 787995561 /nfs/dbraw/zinc/99/55/61/787995561.db2.gz DKPNIXBFAMGOAO-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264894 787995565 /nfs/dbraw/zinc/99/55/65/787995565.db2.gz DKPNIXBFAMGOAO-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541313 788118371 /nfs/dbraw/zinc/11/83/71/788118371.db2.gz CVMAMHLASMIAOY-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541313 788118376 /nfs/dbraw/zinc/11/83/76/788118376.db2.gz CVMAMHLASMIAOY-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541313 788118379 /nfs/dbraw/zinc/11/83/79/788118379.db2.gz CVMAMHLASMIAOY-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133271587 788344795 /nfs/dbraw/zinc/34/47/95/788344795.db2.gz QJJDQVCAGKXPAZ-HOCLYGCPSA-N 2 2 318.465 2.301 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133364019 788386727 /nfs/dbraw/zinc/38/67/27/788386727.db2.gz RFOIODDYYCEENN-SJORKVTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134376267 788892465 /nfs/dbraw/zinc/89/24/65/788892465.db2.gz KCJCRWKRUXKVPP-QWHCGFSZSA-N 2 2 300.406 2.315 20 30 DEEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547782 789772441 /nfs/dbraw/zinc/77/24/41/789772441.db2.gz XOQLVLQHNGJLNX-ZFWWWQNUSA-N 2 2 319.474 2.026 20 30 DEEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547782 789772444 /nfs/dbraw/zinc/77/24/44/789772444.db2.gz XOQLVLQHNGJLNX-ZFWWWQNUSA-N 2 2 319.474 2.026 20 30 DEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609955 789812587 /nfs/dbraw/zinc/81/25/87/789812587.db2.gz PHXBTPUFEASONV-DZGCQCFKSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609955 789812594 /nfs/dbraw/zinc/81/25/94/789812594.db2.gz PHXBTPUFEASONV-DZGCQCFKSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900001 791814351 /nfs/dbraw/zinc/81/43/51/791814351.db2.gz OHJBRYLVWUENLB-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900001 791814358 /nfs/dbraw/zinc/81/43/58/791814358.db2.gz OHJBRYLVWUENLB-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440012 792653465 /nfs/dbraw/zinc/65/34/65/792653465.db2.gz GFAAMNIROBWSSJ-UHFFFAOYSA-N 2 2 317.433 2.083 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441156 792655058 /nfs/dbraw/zinc/65/50/58/792655058.db2.gz GFELVZDFEWKTLP-UHFFFAOYSA-N 2 2 318.465 2.377 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171605057 793147147 /nfs/dbraw/zinc/14/71/47/793147147.db2.gz MIUUXRIVFZLTSJ-CVEARBPZSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896386 793243296 /nfs/dbraw/zinc/24/32/96/793243296.db2.gz NIEALRBWKLAHPW-OAHLLOKOSA-N 2 2 306.454 2.193 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540001 793645255 /nfs/dbraw/zinc/64/52/55/793645255.db2.gz AEVWJLOJLDGKCY-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540001 793645258 /nfs/dbraw/zinc/64/52/58/793645258.db2.gz AEVWJLOJLDGKCY-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479222 794108237 /nfs/dbraw/zinc/10/82/37/794108237.db2.gz ITRXHEFLYVUTFA-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479222 794108240 /nfs/dbraw/zinc/10/82/40/794108240.db2.gz ITRXHEFLYVUTFA-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175630699 794250544 /nfs/dbraw/zinc/25/05/44/794250544.db2.gz UHFGYTLGCIBULR-LSDHHAIUSA-N 2 2 306.454 2.429 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175630699 794250550 /nfs/dbraw/zinc/25/05/50/794250550.db2.gz UHFGYTLGCIBULR-LSDHHAIUSA-N 2 2 306.454 2.429 20 30 DEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331539 794604357 /nfs/dbraw/zinc/60/43/57/794604357.db2.gz MWLHCFCSJGFABS-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001115601697 794836005 /nfs/dbraw/zinc/83/60/05/794836005.db2.gz NKVHTWOOLGFPMR-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688709 795152737 /nfs/dbraw/zinc/15/27/37/795152737.db2.gz FPCVGRWNFIOBRG-DZKIICNBSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688709 795152740 /nfs/dbraw/zinc/15/27/40/795152740.db2.gz FPCVGRWNFIOBRG-DZKIICNBSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184274378 796024286 /nfs/dbraw/zinc/02/42/86/796024286.db2.gz OBSOWLVBZITUQV-OCCSQVGLSA-N 2 2 324.856 2.169 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185493064 796271264 /nfs/dbraw/zinc/27/12/64/796271264.db2.gz SHQYKXZOBLWPPI-LSDHHAIUSA-N 2 2 318.465 2.338 20 30 DEEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078008 796596805 /nfs/dbraw/zinc/59/68/05/796596805.db2.gz KGONYZOHNGQHHS-SJORKVTESA-N 2 2 322.412 2.217 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321668 797181395 /nfs/dbraw/zinc/18/13/95/797181395.db2.gz YBEWVCXABDQZNO-OAHLLOKOSA-N 2 2 312.417 2.447 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321668 797181397 /nfs/dbraw/zinc/18/13/97/797181397.db2.gz YBEWVCXABDQZNO-OAHLLOKOSA-N 2 2 312.417 2.447 20 30 DEEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153929851 797425094 /nfs/dbraw/zinc/42/50/94/797425094.db2.gz AFAFSJARMKZKHU-HZPDHXFCSA-N 2 2 306.454 2.483 20 30 DEEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153929851 797425095 /nfs/dbraw/zinc/42/50/95/797425095.db2.gz AFAFSJARMKZKHU-HZPDHXFCSA-N 2 2 306.454 2.483 20 30 DEEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048481 797488270 /nfs/dbraw/zinc/48/82/70/797488270.db2.gz RJWHOARWLPNLQS-HNNXBMFYSA-N 2 2 306.454 2.455 20 30 DEEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048481 797488274 /nfs/dbraw/zinc/48/82/74/797488274.db2.gz RJWHOARWLPNLQS-HNNXBMFYSA-N 2 2 306.454 2.455 20 30 DEEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368073 798323788 /nfs/dbraw/zinc/32/37/88/798323788.db2.gz LXXNRKYOQSXVHZ-UHFFFAOYSA-N 2 2 304.438 2.164 20 30 DEEDLP C=CCCCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368073 798323794 /nfs/dbraw/zinc/32/37/94/798323794.db2.gz LXXNRKYOQSXVHZ-UHFFFAOYSA-N 2 2 304.438 2.164 20 30 DEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964747 798633034 /nfs/dbraw/zinc/63/30/34/798633034.db2.gz XYIVITZFZBWFII-UHFFFAOYSA-N 2 2 302.422 2.057 20 30 DEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964747 798633037 /nfs/dbraw/zinc/63/30/37/798633037.db2.gz XYIVITZFZBWFII-UHFFFAOYSA-N 2 2 302.422 2.057 20 30 DEEDLP C[NH+](C)C1(CNc2nccc(C#N)c2Cl)CC[NH+](C)CC1 ZINC001164210618 799539361 /nfs/dbraw/zinc/53/93/61/799539361.db2.gz GHLUYZQJOHYUCM-UHFFFAOYSA-N 2 2 307.829 2.045 20 30 DEEDLP Cc1cc(C)c(C#N)c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164213623 799540431 /nfs/dbraw/zinc/54/04/31/799540431.db2.gz ZFCISCMYYRBYAD-UHFFFAOYSA-N 2 2 301.438 2.008 20 30 DEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711412 799765084 /nfs/dbraw/zinc/76/50/84/799765084.db2.gz NLSRUBJZNRBSRV-UHFFFAOYSA-N 2 2 317.433 2.085 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659845 800102353 /nfs/dbraw/zinc/10/23/53/800102353.db2.gz MKXNQYRWXHDQJH-HOTGVXAUSA-N 2 2 316.449 2.244 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]3CCCC[NH2+]3)C2)C1 ZINC001205000278 800283542 /nfs/dbraw/zinc/28/35/42/800283542.db2.gz CBZBRQQEIZCNLX-SJLPKXTDSA-N 2 2 321.465 2.239 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)C1 ZINC001205000278 800283550 /nfs/dbraw/zinc/28/35/50/800283550.db2.gz CBZBRQQEIZCNLX-SJLPKXTDSA-N 2 2 321.465 2.239 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865796 801297422 /nfs/dbraw/zinc/29/74/22/801297422.db2.gz KGMWBJMYQXLHCC-JKSUJKDBSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210603348 801429642 /nfs/dbraw/zinc/42/96/42/801429642.db2.gz GTVLHZKQFGGJLE-DVOMOZLQSA-N 2 2 304.438 2.052 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210603348 801429646 /nfs/dbraw/zinc/42/96/46/801429646.db2.gz GTVLHZKQFGGJLE-DVOMOZLQSA-N 2 2 304.438 2.052 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630346 802005967 /nfs/dbraw/zinc/00/59/67/802005967.db2.gz BDYYQOXECXMLSF-BFYDXBDKSA-N 2 2 318.465 2.144 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091895 802641280 /nfs/dbraw/zinc/64/12/80/802641280.db2.gz CDBFJYGSOREUJA-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001222848154 802744463 /nfs/dbraw/zinc/74/44/63/802744463.db2.gz DEWKMIGMTHHPKV-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001222848154 802744469 /nfs/dbraw/zinc/74/44/69/802744469.db2.gz DEWKMIGMTHHPKV-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001222848154 802744474 /nfs/dbraw/zinc/74/44/74/802744474.db2.gz DEWKMIGMTHHPKV-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001222848154 802744479 /nfs/dbraw/zinc/74/44/79/802744479.db2.gz DEWKMIGMTHHPKV-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227848093 803288099 /nfs/dbraw/zinc/28/80/99/803288099.db2.gz FZSYXVNNNBXYJW-HZPDHXFCSA-N 2 2 304.438 2.256 20 30 DEEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227923534 803295595 /nfs/dbraw/zinc/29/55/95/803295595.db2.gz RHMGHNJGMPQXQN-QGZVFWFLSA-N 2 2 316.449 2.074 20 30 DEEDLP C=C(CC(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346495094 1150996686 /nfs/dbraw/zinc/99/66/86/1150996686.db2.gz KJRWVNWMXDEQFQ-KRWDZBQOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346495094 1150996690 /nfs/dbraw/zinc/99/66/90/1150996690.db2.gz KJRWVNWMXDEQFQ-KRWDZBQOSA-N 2 2 307.482 2.216 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246061123 1140855944 /nfs/dbraw/zinc/85/59/44/1140855944.db2.gz HIOIOIAONCVHRB-GVDBMIGSSA-N 2 2 300.487 2.272 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246061123 1140855945 /nfs/dbraw/zinc/85/59/45/1140855945.db2.gz HIOIOIAONCVHRB-GVDBMIGSSA-N 2 2 300.487 2.272 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001500399822 1058750698 /nfs/dbraw/zinc/75/06/98/1058750698.db2.gz RPOCDLDXYOIGCA-GOSISDBHSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505976758 1061196443 /nfs/dbraw/zinc/19/64/43/1061196443.db2.gz SAVZJRHBHVSSQL-ZDUSSCGKSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505976758 1061196453 /nfs/dbraw/zinc/19/64/53/1061196453.db2.gz SAVZJRHBHVSSQL-ZDUSSCGKSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001479831932 1061860446 /nfs/dbraw/zinc/86/04/46/1061860446.db2.gz PXHYQHCHTPGCLY-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C#CC[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001506504975 1062057680 /nfs/dbraw/zinc/05/76/80/1062057680.db2.gz 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C=CCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001507352971 1063141203 /nfs/dbraw/zinc/14/12/03/1063141203.db2.gz QSCWYIAPINGOSZ-FUHWJXTLSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001507388556 1063214796 /nfs/dbraw/zinc/21/47/96/1063214796.db2.gz WGLXHCBKMBFMMW-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001507388556 1063214823 /nfs/dbraw/zinc/21/48/23/1063214823.db2.gz WGLXHCBKMBFMMW-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001507388556 1063214845 /nfs/dbraw/zinc/21/48/45/1063214845.db2.gz WGLXHCBKMBFMMW-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001507388556 1063214862 /nfs/dbraw/zinc/21/48/62/1063214862.db2.gz WGLXHCBKMBFMMW-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C#CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001493896324 1064015860 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LRAWMDFXYAVBEH-CVEARBPZSA-N 2 2 318.465 2.477 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567914336 1064512052 /nfs/dbraw/zinc/51/20/52/1064512052.db2.gz RSXBUTKRNVXSGF-SJORKVTESA-N 2 2 316.449 2.026 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567914336 1064512067 /nfs/dbraw/zinc/51/20/67/1064512067.db2.gz RSXBUTKRNVXSGF-SJORKVTESA-N 2 2 316.449 2.026 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494899036 1064555450 /nfs/dbraw/zinc/55/54/50/1064555450.db2.gz AZOMORGXKPFVAP-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494899036 1064555464 /nfs/dbraw/zinc/55/54/64/1064555464.db2.gz AZOMORGXKPFVAP-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494899036 1064555476 /nfs/dbraw/zinc/55/54/76/1064555476.db2.gz AZOMORGXKPFVAP-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494899036 1064555488 /nfs/dbraw/zinc/55/54/88/1064555488.db2.gz AZOMORGXKPFVAP-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)CC[NH2+]C/C=C/CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568871967 1065167418 /nfs/dbraw/zinc/16/74/18/1065167418.db2.gz RNFCPVDKBUBOFD-VOTSOKGWSA-N 2 2 304.438 2.155 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001569166692 1065334989 /nfs/dbraw/zinc/33/49/89/1065334989.db2.gz XEWHFDVUCLVTKK-GDBMZVCRSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001569166692 1065334996 /nfs/dbraw/zinc/33/49/96/1065334996.db2.gz XEWHFDVUCLVTKK-GDBMZVCRSA-N 2 2 304.438 2.183 20 30 DEEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001496400222 1065448399 /nfs/dbraw/zinc/44/83/99/1065448399.db2.gz FCBLDOBRSYHBMM-MRXNPFEDSA-N 2 2 324.428 2.332 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001569574782 1065602177 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2 324.856 2.164 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001267216040 1078672989 /nfs/dbraw/zinc/67/29/89/1078672989.db2.gz LBNWGDAWEPKKHG-AWEZNQCLSA-N 2 2 318.465 2.480 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001571465788 1068317754 /nfs/dbraw/zinc/31/77/54/1068317754.db2.gz LBFCMWHPOCQGAL-WBVHZDCISA-N 2 2 318.465 2.288 20 30 DEEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001571650157 1068459646 /nfs/dbraw/zinc/45/96/46/1068459646.db2.gz IFCMFXJDOLNHPK-HOTGVXAUSA-N 2 2 316.449 2.074 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001267274089 1078720606 /nfs/dbraw/zinc/72/06/06/1078720606.db2.gz QMIDXRZAUYXYLB-HUUCEWRRSA-N 2 2 304.438 2.306 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001267274089 1078720608 /nfs/dbraw/zinc/72/06/08/1078720608.db2.gz QMIDXRZAUYXYLB-HUUCEWRRSA-N 2 2 304.438 2.306 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001267274089 1078720614 /nfs/dbraw/zinc/72/06/14/1078720614.db2.gz QMIDXRZAUYXYLB-HUUCEWRRSA-N 2 2 304.438 2.306 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001267274089 1078720618 /nfs/dbraw/zinc/72/06/18/1078720618.db2.gz QMIDXRZAUYXYLB-HUUCEWRRSA-N 2 2 304.438 2.306 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001483657290 1078758382 /nfs/dbraw/zinc/75/83/82/1078758382.db2.gz GPRVHGWFYLQRGZ-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001483657290 1078758385 /nfs/dbraw/zinc/75/83/85/1078758385.db2.gz GPRVHGWFYLQRGZ-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001483657290 1078758391 /nfs/dbraw/zinc/75/83/91/1078758391.db2.gz GPRVHGWFYLQRGZ-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC(C)(C)C 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WDBMCHBURSJZIC-VQJWOFKYSA-N 2 2 302.422 2.105 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001566842625 1075359515 /nfs/dbraw/zinc/35/95/15/1075359515.db2.gz WDBMCHBURSJZIC-VQJWOFKYSA-N 2 2 302.422 2.105 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267707838 1079393311 /nfs/dbraw/zinc/39/33/11/1079393311.db2.gz IAFGBNCJAWJTEQ-INIZCTEOSA-N 2 2 304.438 2.020 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267707838 1079393317 /nfs/dbraw/zinc/39/33/17/1079393317.db2.gz IAFGBNCJAWJTEQ-INIZCTEOSA-N 2 2 304.438 2.020 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001567199358 1075462049 /nfs/dbraw/zinc/46/20/49/1075462049.db2.gz FPDBJJGHVBFUBF-WBVHZDCISA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001567199358 1075462055 /nfs/dbraw/zinc/46/20/55/1075462055.db2.gz FPDBJJGHVBFUBF-WBVHZDCISA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001567199358 1075462056 /nfs/dbraw/zinc/46/20/56/1075462056.db2.gz FPDBJJGHVBFUBF-WBVHZDCISA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001567199358 1075462062 /nfs/dbraw/zinc/46/20/62/1075462062.db2.gz FPDBJJGHVBFUBF-WBVHZDCISA-N 2 2 318.465 2.477 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(-c4nn[nH]n4)cc32)CC1 ZINC001588657833 1076459544 /nfs/dbraw/zinc/45/95/44/1076459544.db2.gz XZEVMUTZSNKZCL-KRWDZBQOSA-N 2 2 324.432 2.094 20 30 DEEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001279242779 1079511082 /nfs/dbraw/zinc/51/10/82/1079511082.db2.gz YHHHFBITJZFCQT-UYSNPLJNSA-N 2 2 304.438 2.235 20 30 DEEDLP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001267839364 1079528014 /nfs/dbraw/zinc/52/80/14/1079528014.db2.gz PENZDOZRPQMQNS-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001484547105 1079654599 /nfs/dbraw/zinc/65/45/99/1079654599.db2.gz JHFNKPUKRGRZQQ-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481465523 1079918231 /nfs/dbraw/zinc/91/82/31/1079918231.db2.gz UUNCRZYADXYRCQ-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481465523 1079918237 /nfs/dbraw/zinc/91/82/37/1079918237.db2.gz UUNCRZYADXYRCQ-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001481539592 1080027707 /nfs/dbraw/zinc/02/77/07/1080027707.db2.gz BNGQZLKTSYYQSK-INIZCTEOSA-N 2 2 306.454 2.434 20 30 DEEDLP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001481539592 1080027717 /nfs/dbraw/zinc/02/77/17/1080027717.db2.gz BNGQZLKTSYYQSK-INIZCTEOSA-N 2 2 306.454 2.434 20 30 DEEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481596227 1080119483 /nfs/dbraw/zinc/11/94/83/1080119483.db2.gz MBELQOUWBWAJBK-GOSISDBHSA-N 2 2 315.461 2.446 20 30 DEEDLP C#CCC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001660685151 1080379624 /nfs/dbraw/zinc/37/96/24/1080379624.db2.gz JOWLCUZLUQEQIW-UHFFFAOYSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CCC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001660685151 1080379635 /nfs/dbraw/zinc/37/96/35/1080379635.db2.gz JOWLCUZLUQEQIW-UHFFFAOYSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001660798289 1080398124 /nfs/dbraw/zinc/39/81/24/1080398124.db2.gz SCMPACCEWJXRNV-UHFFFAOYSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001661221667 1080458719 /nfs/dbraw/zinc/45/87/19/1080458719.db2.gz ZSUINVZCKOQPTL-QGZVFWFLSA-N 2 2 318.465 2.410 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001661221667 1080458723 /nfs/dbraw/zinc/45/87/23/1080458723.db2.gz ZSUINVZCKOQPTL-QGZVFWFLSA-N 2 2 318.465 2.410 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661792561 1080524381 /nfs/dbraw/zinc/52/43/81/1080524381.db2.gz AZQWYRYPCQSMGN-CQSZACIVSA-N 2 2 310.401 2.028 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001662129900 1080571777 /nfs/dbraw/zinc/57/17/77/1080571777.db2.gz GWMRUHJUEDSLQB-QQFBHYJXSA-N 2 2 304.438 2.427 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481986351 1080671749 /nfs/dbraw/zinc/67/17/49/1080671749.db2.gz MZQHOOHANNCHRW-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481986351 1080671755 /nfs/dbraw/zinc/67/17/55/1080671755.db2.gz MZQHOOHANNCHRW-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001663503678 1080759420 /nfs/dbraw/zinc/75/94/20/1080759420.db2.gz VVABYHKNZLXWQN-DLBZAZTESA-N 2 2 316.449 2.074 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001663503678 1080759427 /nfs/dbraw/zinc/75/94/27/1080759427.db2.gz VVABYHKNZLXWQN-DLBZAZTESA-N 2 2 316.449 2.074 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664716398 1080947645 /nfs/dbraw/zinc/94/76/45/1080947645.db2.gz CKUROQZIFVLINJ-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664716398 1080947650 /nfs/dbraw/zinc/94/76/50/1080947650.db2.gz CKUROQZIFVLINJ-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664716398 1080947658 /nfs/dbraw/zinc/94/76/58/1080947658.db2.gz CKUROQZIFVLINJ-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664716398 1080947662 /nfs/dbraw/zinc/94/76/62/1080947662.db2.gz CKUROQZIFVLINJ-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001666310433 1081142932 /nfs/dbraw/zinc/14/29/32/1081142932.db2.gz NQYQOQSEGAXXEK-KKUMJFAQSA-N 2 2 304.438 2.181 20 30 DEEDLP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001666310433 1081142935 /nfs/dbraw/zinc/14/29/35/1081142935.db2.gz NQYQOQSEGAXXEK-KKUMJFAQSA-N 2 2 304.438 2.181 20 30 DEEDLP C=CCC[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001667458804 1081253592 /nfs/dbraw/zinc/25/35/92/1081253592.db2.gz OODADYFIWZSCNP-MRXNPFEDSA-N 2 2 318.465 2.068 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001270067793 1081442260 /nfs/dbraw/zinc/44/22/60/1081442260.db2.gz WCWPOSVTPNLYJT-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001270067793 1081442261 /nfs/dbraw/zinc/44/22/61/1081442261.db2.gz WCWPOSVTPNLYJT-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001270075489 1081444213 /nfs/dbraw/zinc/44/42/13/1081444213.db2.gz GUPKPLNSMBLUCS-HNNXBMFYSA-N 2 2 312.417 2.426 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001669974812 1081485937 /nfs/dbraw/zinc/48/59/37/1081485937.db2.gz XDKVPCBRXFHZJO-GDBMZVCRSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCC1 ZINC001671535777 1081522161 /nfs/dbraw/zinc/52/21/61/1081522161.db2.gz FKFSTJPMFLPGIO-INIZCTEOSA-N 2 2 317.433 2.083 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001482410440 1081799100 /nfs/dbraw/zinc/79/91/00/1081799100.db2.gz KVDGMKJBTFMDDX-INIZCTEOSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001482473722 1081952441 /nfs/dbraw/zinc/95/24/41/1081952441.db2.gz STUXULGTTJIIKY-LSDHHAIUSA-N 2 2 324.856 2.242 20 30 DEEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266355093 1081994557 /nfs/dbraw/zinc/99/45/57/1081994557.db2.gz AKPCODMGVPXWIC-HNNXBMFYSA-N 2 2 306.454 2.422 20 30 DEEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266355093 1081994563 /nfs/dbraw/zinc/99/45/63/1081994563.db2.gz AKPCODMGVPXWIC-HNNXBMFYSA-N 2 2 306.454 2.422 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCCC1 ZINC001271353302 1082017789 /nfs/dbraw/zinc/01/77/89/1082017789.db2.gz CGMWTKQDHXXAAY-KRWDZBQOSA-N 2 2 318.465 2.491 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001266498978 1082076647 /nfs/dbraw/zinc/07/66/47/1082076647.db2.gz KHLMAGUPFPSASP-BMFZPTHFSA-N 2 2 316.449 2.291 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001266498978 1082076654 /nfs/dbraw/zinc/07/66/54/1082076654.db2.gz KHLMAGUPFPSASP-BMFZPTHFSA-N 2 2 316.449 2.291 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271549291 1082078116 /nfs/dbraw/zinc/07/81/16/1082078116.db2.gz JACYASZFNBHFNZ-DZGCQCFKSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001271654944 1082101854 /nfs/dbraw/zinc/10/18/54/1082101854.db2.gz JBGHIMASBBEDFW-DLBZAZTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001271698526 1082111792 /nfs/dbraw/zinc/11/17/92/1082111792.db2.gz DJRVEWKGLJLQJH-CABCVRRESA-N 2 2 318.465 2.338 20 30 DEEDLP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001271776957 1082151601 /nfs/dbraw/zinc/15/16/01/1082151601.db2.gz AMTVLYJWGLRBML-WKILWMFISA-N 2 2 318.465 2.051 20 30 DEEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001266701268 1082292802 /nfs/dbraw/zinc/29/28/02/1082292802.db2.gz LSAWQKRDBBEYGC-IYBDPMFKSA-N 2 2 317.433 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491298466 1084221259 /nfs/dbraw/zinc/22/12/59/1084221259.db2.gz CBCZCMPHPGAQQS-HIFRSBDPSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491298466 1084221265 /nfs/dbraw/zinc/22/12/65/1084221265.db2.gz CBCZCMPHPGAQQS-HIFRSBDPSA-N 2 2 304.438 2.053 20 30 DEEDLP CCc1cc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)ccc1C#N ZINC001235022518 1084278948 /nfs/dbraw/zinc/27/89/48/1084278948.db2.gz OHLMJXLJURKMTI-LJQANCHMSA-N 2 2 313.445 2.323 20 30 DEEDLP CCc1cc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)ccc1C#N ZINC001235022518 1084278958 /nfs/dbraw/zinc/27/89/58/1084278958.db2.gz OHLMJXLJURKMTI-LJQANCHMSA-N 2 2 313.445 2.323 20 30 DEEDLP C=CCCCCCCC[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235173884 1084336261 /nfs/dbraw/zinc/33/62/61/1084336261.db2.gz FMLAQAJTKCJSQZ-SFHVURJKSA-N 2 2 307.482 2.457 20 30 DEEDLP C=CCCCCCCC[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235173884 1084336272 /nfs/dbraw/zinc/33/62/72/1084336272.db2.gz FMLAQAJTKCJSQZ-SFHVURJKSA-N 2 2 307.482 2.457 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078660591 1084786904 /nfs/dbraw/zinc/78/69/04/1084786904.db2.gz KVGBIFVDGUNFEN-HOTGVXAUSA-N 2 2 310.401 2.380 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078660590 1084787269 /nfs/dbraw/zinc/78/72/69/1084787269.db2.gz KVGBIFVDGUNFEN-CVEARBPZSA-N 2 2 310.401 2.380 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001486204077 1085130386 /nfs/dbraw/zinc/13/03/86/1085130386.db2.gz DLPIRACYEDSEIO-HIFRSBDPSA-N 2 2 310.401 2.074 20 30 DEEDLP C#CC[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000964454735 1085233240 /nfs/dbraw/zinc/23/32/40/1085233240.db2.gz MBGBXOAYPUBZIW-UHFFFAOYSA-N 2 2 311.429 2.271 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961440640 1085733101 /nfs/dbraw/zinc/73/31/01/1085733101.db2.gz SLODKWYQCOGNOR-KRWDZBQOSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961440640 1085733111 /nfs/dbraw/zinc/73/31/11/1085733111.db2.gz SLODKWYQCOGNOR-KRWDZBQOSA-N 2 2 316.449 2.020 20 30 DEEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(-c3ccccc3)ccc2C#N)CC1 ZINC001168736563 1086116137 /nfs/dbraw/zinc/11/61/37/1086116137.db2.gz NSBUFZNZRBMXCI-UHFFFAOYSA-N 2 2 320.400 2.214 20 30 DEEDLP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001273106045 1086204097 /nfs/dbraw/zinc/20/40/97/1086204097.db2.gz HDOXBNLNCYCWPY-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366077 1086428620 /nfs/dbraw/zinc/42/86/20/1086428620.db2.gz JEEWSJYUBOVHFO-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366077 1086428625 /nfs/dbraw/zinc/42/86/25/1086428625.db2.gz JEEWSJYUBOVHFO-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001082772343 1090073538 /nfs/dbraw/zinc/07/35/38/1090073538.db2.gz KUQRCTSAPQEDAU-MRVWCRGKSA-N 2 2 310.829 2.023 20 30 DEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001275588347 1091890378 /nfs/dbraw/zinc/89/03/78/1091890378.db2.gz ATBQJSXMWHAHTI-GOOCMWNKSA-N 2 2 318.490 2.266 20 30 DEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001275588347 1091890389 /nfs/dbraw/zinc/89/03/89/1091890389.db2.gz ATBQJSXMWHAHTI-GOOCMWNKSA-N 2 2 318.490 2.266 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198002852 1092033472 /nfs/dbraw/zinc/03/34/72/1092033472.db2.gz VODQZKFXAMIRRO-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198002852 1092033482 /nfs/dbraw/zinc/03/34/82/1092033482.db2.gz VODQZKFXAMIRRO-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001489050837 1092909734 /nfs/dbraw/zinc/90/97/34/1092909734.db2.gz QXUHJFFLJRJHMN-INMHGKMJSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001489050837 1092909742 /nfs/dbraw/zinc/90/97/42/1092909742.db2.gz QXUHJFFLJRJHMN-INMHGKMJSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001490376993 1093332761 /nfs/dbraw/zinc/33/27/61/1093332761.db2.gz SBERNLPFXFBORO-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001490376993 1093332768 /nfs/dbraw/zinc/33/27/68/1093332768.db2.gz SBERNLPFXFBORO-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001490376993 1093332774 /nfs/dbraw/zinc/33/27/74/1093332774.db2.gz SBERNLPFXFBORO-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001490376993 1093332783 /nfs/dbraw/zinc/33/27/83/1093332783.db2.gz SBERNLPFXFBORO-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001490604560 1093443004 /nfs/dbraw/zinc/44/30/04/1093443004.db2.gz NNVFFQHQHLPXME-ZBFHGGJFSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001490604560 1093443009 /nfs/dbraw/zinc/44/30/09/1093443009.db2.gz NNVFFQHQHLPXME-ZBFHGGJFSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001278094974 1138618505 /nfs/dbraw/zinc/61/85/05/1138618505.db2.gz REEYGGLMUJLVPD-OAHLLOKOSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001319696169 1140673234 /nfs/dbraw/zinc/67/32/34/1140673234.db2.gz IPAWKOQSAZXWQP-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001319926759 1140804665 /nfs/dbraw/zinc/80/46/65/1140804665.db2.gz DFFZPHLDFYTVJH-AWEZNQCLSA-N 2 2 300.406 2.254 20 30 DEEDLP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246709659 1141039594 /nfs/dbraw/zinc/03/95/94/1141039594.db2.gz UOUKCPUAJATQFD-JFIYKMOQSA-N 2 2 305.466 2.160 20 30 DEEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246709659 1141039606 /nfs/dbraw/zinc/03/96/06/1141039606.db2.gz UOUKCPUAJATQFD-JFIYKMOQSA-N 2 2 305.466 2.160 20 30 DEEDLP Cc1cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)ccc1C#N ZINC001247867718 1141580883 /nfs/dbraw/zinc/58/08/83/1141580883.db2.gz JDHIDGNUPRVUHU-OAHLLOKOSA-N 2 2 323.400 2.463 20 30 DEEDLP C[NH+]1CCN(c2ccc(C=[NH+]O[C@@H]3CCCCO3)cc2F)CC1 ZINC001324428462 1142076065 /nfs/dbraw/zinc/07/60/65/1142076065.db2.gz AORMSJLTLJONMX-QGZVFWFLSA-N 2 2 321.396 2.455 20 30 DEEDLP O=C1C=C2C[N@H+](C3CCN(c4cc[nH+]cc4)CC3)CCC2S1 ZINC001256857314 1143871215 /nfs/dbraw/zinc/87/12/15/1143871215.db2.gz RHVGWISBYHGWHK-INIZCTEOSA-N 2 2 315.442 2.325 20 30 DEEDLP O=C1C=C2C[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)CCC2S1 ZINC001256857314 1143871217 /nfs/dbraw/zinc/87/12/17/1143871217.db2.gz RHVGWISBYHGWHK-INIZCTEOSA-N 2 2 315.442 2.325 20 30 DEEDLP O=C1C=C2C[N@H+](C3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]2S1 ZINC001256857314 1143871218 /nfs/dbraw/zinc/87/12/18/1143871218.db2.gz RHVGWISBYHGWHK-INIZCTEOSA-N 2 2 315.442 2.325 20 30 DEEDLP O=C1C=C2C[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)CC[C@@H]2S1 ZINC001256857314 1143871219 /nfs/dbraw/zinc/87/12/19/1143871219.db2.gz RHVGWISBYHGWHK-INIZCTEOSA-N 2 2 315.442 2.325 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)C1=O ZINC001257218447 1143894300 /nfs/dbraw/zinc/89/43/00/1143894300.db2.gz VCHOLJZLTFUEGT-LJQANCHMSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)C1=O ZINC001257218447 1143894301 /nfs/dbraw/zinc/89/43/01/1143894301.db2.gz VCHOLJZLTFUEGT-LJQANCHMSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263823719 1144402574 /nfs/dbraw/zinc/40/25/74/1144402574.db2.gz VEDARWXMWARQRZ-GOSISDBHSA-N 2 2 315.461 2.227 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263823719 1144402579 /nfs/dbraw/zinc/40/25/79/1144402579.db2.gz VEDARWXMWARQRZ-GOSISDBHSA-N 2 2 315.461 2.227 20 30 DEEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001263823719 1144402583 /nfs/dbraw/zinc/40/25/83/1144402583.db2.gz VEDARWXMWARQRZ-GOSISDBHSA-N 2 2 315.461 2.227 20 30 DEEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001263823719 1144402585 /nfs/dbraw/zinc/40/25/85/1144402585.db2.gz VEDARWXMWARQRZ-GOSISDBHSA-N 2 2 315.461 2.227 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001264054249 1144451751 /nfs/dbraw/zinc/45/17/51/1144451751.db2.gz GMCYRFWPHRXZBX-JKSUJKDBSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001264054249 1144451761 /nfs/dbraw/zinc/45/17/61/1144451761.db2.gz GMCYRFWPHRXZBX-JKSUJKDBSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1CC ZINC001264054249 1144451770 /nfs/dbraw/zinc/45/17/70/1144451770.db2.gz GMCYRFWPHRXZBX-JKSUJKDBSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1CC ZINC001264054249 1144451781 /nfs/dbraw/zinc/45/17/81/1144451781.db2.gz GMCYRFWPHRXZBX-JKSUJKDBSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001264655860 1144586614 /nfs/dbraw/zinc/58/66/14/1144586614.db2.gz QVGOWYONFRTGHM-CVEARBPZSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001264655860 1144586620 /nfs/dbraw/zinc/58/66/20/1144586620.db2.gz QVGOWYONFRTGHM-CVEARBPZSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265496755 1144707303 /nfs/dbraw/zinc/70/73/03/1144707303.db2.gz CAOLPDPNJYHQKS-VGWMRTNUSA-N 2 2 304.438 2.426 20 30 DEEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001282718052 1145141685 /nfs/dbraw/zinc/14/16/85/1145141685.db2.gz WNYPFMMKWCWUNC-NVXWUHKLSA-N 2 2 318.465 2.483 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001491882184 1146950074 /nfs/dbraw/zinc/95/00/74/1146950074.db2.gz LNESQIVVIBPWHX-CVEARBPZSA-N 2 2 304.438 2.256 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001316723629 1147592263 /nfs/dbraw/zinc/59/22/63/1147592263.db2.gz QIBSBWKFLDCXTQ-HYVNUMGLSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001316723629 1147592267 /nfs/dbraw/zinc/59/22/67/1147592267.db2.gz QIBSBWKFLDCXTQ-HYVNUMGLSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001316723629 1147592271 /nfs/dbraw/zinc/59/22/71/1147592271.db2.gz QIBSBWKFLDCXTQ-HYVNUMGLSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001316723629 1147592275 /nfs/dbraw/zinc/59/22/75/1147592275.db2.gz QIBSBWKFLDCXTQ-HYVNUMGLSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317243899 1147682040 /nfs/dbraw/zinc/68/20/40/1147682040.db2.gz YVQQDDVWJJPYQW-ZDUSSCGKSA-N 2 2 300.406 2.317 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317504060 1147716890 /nfs/dbraw/zinc/71/68/90/1147716890.db2.gz UJGJYMACTPESFZ-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317504060 1147716891 /nfs/dbraw/zinc/71/68/91/1147716891.db2.gz UJGJYMACTPESFZ-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317688479 1147744373 /nfs/dbraw/zinc/74/43/73/1147744373.db2.gz XCYYFGLRZUCDGE-CABCVRRESA-N 2 2 304.438 2.237 20 30 DEEDLP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317688515 1147744520 /nfs/dbraw/zinc/74/45/20/1147744520.db2.gz XCYYFGLRZUCDGE-LSDHHAIUSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001317701913 1147745420 /nfs/dbraw/zinc/74/54/20/1147745420.db2.gz KINJKVXXZWWIMM-HZPDHXFCSA-N 2 2 318.465 2.316 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001317701913 1147745422 /nfs/dbraw/zinc/74/54/22/1147745422.db2.gz KINJKVXXZWWIMM-HZPDHXFCSA-N 2 2 318.465 2.316 20 30 DEEDLP CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181742724 199346168 /nfs/dbraw/zinc/34/61/68/199346168.db2.gz SXNWGWSMBGRDAP-SFHVURJKSA-N 2 2 301.434 2.273 20 30 DEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000581998068 357282149 /nfs/dbraw/zinc/28/21/49/357282149.db2.gz SIDDXUUMXMZKTC-MSOLQXFVSA-N 2 2 318.461 2.229 20 30 DEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000581998068 357282153 /nfs/dbraw/zinc/28/21/53/357282153.db2.gz SIDDXUUMXMZKTC-MSOLQXFVSA-N 2 2 318.461 2.229 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000590779013 357610967 /nfs/dbraw/zinc/61/09/67/357610967.db2.gz JBGUFSNVUMSABF-PKOBYXMFSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000590779013 357610969 /nfs/dbraw/zinc/61/09/69/357610969.db2.gz JBGUFSNVUMSABF-PKOBYXMFSA-N 2 2 313.445 2.372 20 30 DEEDLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N ZINC000443981291 238132765 /nfs/dbraw/zinc/13/27/65/238132765.db2.gz SQALZORZQVLIRD-SFHVURJKSA-N 2 2 301.434 2.313 20 30 DEEDLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1C#N ZINC000443981291 238132768 /nfs/dbraw/zinc/13/27/68/238132768.db2.gz SQALZORZQVLIRD-SFHVURJKSA-N 2 2 301.434 2.313 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609258106 361293451 /nfs/dbraw/zinc/29/34/51/361293451.db2.gz MCZPBEZGCOMIEF-KRWDZBQOSA-N 2 2 323.400 2.420 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609258106 361293455 /nfs/dbraw/zinc/29/34/55/361293455.db2.gz MCZPBEZGCOMIEF-KRWDZBQOSA-N 2 2 323.400 2.420 20 30 DEEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000619700975 363859878 /nfs/dbraw/zinc/85/98/78/363859878.db2.gz SETHXFQYMMNQFY-OAHLLOKOSA-N 2 2 308.447 2.277 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1F ZINC000374422714 148245165 /nfs/dbraw/zinc/24/51/65/148245165.db2.gz SLTJJQFTASBARW-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1F ZINC000374422714 148245166 /nfs/dbraw/zinc/24/51/66/148245166.db2.gz SLTJJQFTASBARW-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP Cc1cc[nH+]c(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000166045410 402481425 /nfs/dbraw/zinc/48/14/25/402481425.db2.gz DNHIGRMDJNPYMC-UHFFFAOYSA-N 2 2 322.412 2.463 20 30 DEEDLP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C[NH+]1CCOCC1 ZINC000181781700 402657081 /nfs/dbraw/zinc/65/70/81/402657081.db2.gz OFJGGUHOLHMRGD-CVEARBPZSA-N 2 2 317.433 2.208 20 30 DEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000183887431 402803565 /nfs/dbraw/zinc/80/35/65/402803565.db2.gz UJEIYOUAMIYRKO-CYBMUJFWSA-N 2 2 314.355 2.375 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861738 403095405 /nfs/dbraw/zinc/09/54/05/403095405.db2.gz UMEOHZOAUIXOKY-BQFCYCMXSA-N 2 2 315.461 2.177 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861738 403095406 /nfs/dbraw/zinc/09/54/06/403095406.db2.gz UMEOHZOAUIXOKY-BQFCYCMXSA-N 2 2 315.461 2.177 20 30 DEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CCO1 ZINC000342691722 403310825 /nfs/dbraw/zinc/31/08/25/403310825.db2.gz JBUBLBHVNORBRV-MRXNPFEDSA-N 2 2 313.445 2.438 20 30 DEEDLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CCO1 ZINC000342691722 403310830 /nfs/dbraw/zinc/31/08/30/403310830.db2.gz JBUBLBHVNORBRV-MRXNPFEDSA-N 2 2 313.445 2.438 20 30 DEEDLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292206378 403320463 /nfs/dbraw/zinc/32/04/63/403320463.db2.gz OBMUWCXCHBCCKY-INIZCTEOSA-N 2 2 302.422 2.138 20 30 DEEDLP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292206378 403320466 /nfs/dbraw/zinc/32/04/66/403320466.db2.gz OBMUWCXCHBCCKY-INIZCTEOSA-N 2 2 302.422 2.138 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430570 403381538 /nfs/dbraw/zinc/38/15/38/403381538.db2.gz CWYVGCRAIWJCRC-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430570 403381540 /nfs/dbraw/zinc/38/15/40/403381540.db2.gz CWYVGCRAIWJCRC-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339430570 403381543 /nfs/dbraw/zinc/38/15/43/403381543.db2.gz CWYVGCRAIWJCRC-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339430570 403381544 /nfs/dbraw/zinc/38/15/44/403381544.db2.gz CWYVGCRAIWJCRC-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000286144253 403458848 /nfs/dbraw/zinc/45/88/48/403458848.db2.gz PDBRIYCEKZYKPF-GJZGRUSLSA-N 2 2 305.422 2.216 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccco1 ZINC000286144253 403458851 /nfs/dbraw/zinc/45/88/51/403458851.db2.gz PDBRIYCEKZYKPF-GJZGRUSLSA-N 2 2 305.422 2.216 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286334501 403502490 /nfs/dbraw/zinc/50/24/90/403502490.db2.gz YBTBAPBJAGFWMD-ZDUSSCGKSA-N 2 2 315.417 2.319 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](CO)C3)CC2)cc1 ZINC000295135133 403770151 /nfs/dbraw/zinc/77/01/51/403770151.db2.gz YRSGJGQKQALVNV-MJGOQNOKSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)CC1 ZINC000295259622 403818275 /nfs/dbraw/zinc/81/82/75/403818275.db2.gz UXUYPXUMGZYOFE-UHFFFAOYSA-N 2 2 305.422 2.240 20 30 DEEDLP Cn1c[nH+]cc1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289295934 403900121 /nfs/dbraw/zinc/90/01/21/403900121.db2.gz HRPKDHIVZFIBBV-UHFFFAOYSA-N 2 2 323.444 2.042 20 30 DEEDLP Cn1c[nH+]cc1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289295934 403900126 /nfs/dbraw/zinc/90/01/26/403900126.db2.gz HRPKDHIVZFIBBV-UHFFFAOYSA-N 2 2 323.444 2.042 20 30 DEEDLP Cn1c[nH+]cc1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000289295934 403900129 /nfs/dbraw/zinc/90/01/29/403900129.db2.gz HRPKDHIVZFIBBV-UHFFFAOYSA-N 2 2 323.444 2.042 20 30 DEEDLP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341267464 403875110 /nfs/dbraw/zinc/87/51/10/403875110.db2.gz BXNCOJSPTKHYBN-LSDHHAIUSA-N 2 2 301.434 2.272 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344115047 403918963 /nfs/dbraw/zinc/91/89/63/403918963.db2.gz MBYAPOCKMFWUKR-SJORKVTESA-N 2 2 307.482 2.265 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344115047 403918969 /nfs/dbraw/zinc/91/89/69/403918969.db2.gz MBYAPOCKMFWUKR-SJORKVTESA-N 2 2 307.482 2.265 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000329815336 404460974 /nfs/dbraw/zinc/46/09/74/404460974.db2.gz VERHZGBBEZUEEH-CVEARBPZSA-N 2 2 319.453 2.053 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000329815336 404460981 /nfs/dbraw/zinc/46/09/81/404460981.db2.gz VERHZGBBEZUEEH-CVEARBPZSA-N 2 2 319.453 2.053 20 30 DEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cccc(F)c3C#N)C2)CC1 ZINC000361034174 404887011 /nfs/dbraw/zinc/88/70/11/404887011.db2.gz KZCVPXINIIMTON-ZDUSSCGKSA-N 2 2 302.397 2.278 20 30 DEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cccc(F)c3C#N)C2)CC1 ZINC000361034174 404887016 /nfs/dbraw/zinc/88/70/16/404887016.db2.gz KZCVPXINIIMTON-ZDUSSCGKSA-N 2 2 302.397 2.278 20 30 DEEDLP C[C@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378310722 404925360 /nfs/dbraw/zinc/92/53/60/404925360.db2.gz CXDNWILBERIMGZ-DLBZAZTESA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378310722 404925361 /nfs/dbraw/zinc/92/53/61/404925361.db2.gz CXDNWILBERIMGZ-DLBZAZTESA-N 2 2 306.498 2.274 20 30 DEEDLP COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425252587 405264127 /nfs/dbraw/zinc/26/41/27/405264127.db2.gz ZYQZSRUPHYIIFG-GOSISDBHSA-N 2 2 310.401 2.064 20 30 DEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000566426755 406088986 /nfs/dbraw/zinc/08/89/86/406088986.db2.gz WMMUKMIHIKJNPN-MRXNPFEDSA-N 2 2 313.445 2.438 20 30 DEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000566426755 406088992 /nfs/dbraw/zinc/08/89/92/406088992.db2.gz WMMUKMIHIKJNPN-MRXNPFEDSA-N 2 2 313.445 2.438 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000651806128 425147800 /nfs/dbraw/zinc/14/78/00/425147800.db2.gz STPYMVOXPURFSP-CIQAELJKSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000651806128 425147801 /nfs/dbraw/zinc/14/78/01/425147801.db2.gz STPYMVOXPURFSP-CIQAELJKSA-N 2 2 319.493 2.404 20 30 DEEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2c(C#N)cnn2c1 ZINC000582062922 333195877 /nfs/dbraw/zinc/19/58/77/333195877.db2.gz GXXDORWUJNWREW-UHFFFAOYSA-N 2 2 314.437 2.155 20 30 DEEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2c(C#N)cnn2c1 ZINC000582062922 333195879 /nfs/dbraw/zinc/19/58/79/333195879.db2.gz GXXDORWUJNWREW-UHFFFAOYSA-N 2 2 314.437 2.155 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000517665791 340474898 /nfs/dbraw/zinc/47/48/98/340474898.db2.gz IIXGNLSCEMKVOV-AWEZNQCLSA-N 2 2 316.449 2.090 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001378225762 1152234712 /nfs/dbraw/zinc/23/47/12/1152234712.db2.gz IITNHNJEWITHTH-HNNXBMFYSA-N 2 2 323.868 2.307 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001378225762 1152234719 /nfs/dbraw/zinc/23/47/19/1152234719.db2.gz IITNHNJEWITHTH-HNNXBMFYSA-N 2 2 323.868 2.307 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001378225762 1152234728 /nfs/dbraw/zinc/23/47/28/1152234728.db2.gz IITNHNJEWITHTH-HNNXBMFYSA-N 2 2 323.868 2.307 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001378225762 1152234733 /nfs/dbraw/zinc/23/47/33/1152234733.db2.gz IITNHNJEWITHTH-HNNXBMFYSA-N 2 2 323.868 2.307 20 30 DEEDLP C=CCOCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000339013690 526767743 /nfs/dbraw/zinc/76/77/43/526767743.db2.gz MVTWWHJAPMSYIL-UHFFFAOYSA-N 2 2 303.450 2.223 20 30 DEEDLP C=CCOCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000339013690 526767745 /nfs/dbraw/zinc/76/77/45/526767745.db2.gz MVTWWHJAPMSYIL-UHFFFAOYSA-N 2 2 303.450 2.223 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374996645 527268171 /nfs/dbraw/zinc/26/81/71/527268171.db2.gz HWGVNDOVIHSNMV-HZPDHXFCSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374996645 527268176 /nfs/dbraw/zinc/26/81/76/527268176.db2.gz HWGVNDOVIHSNMV-HZPDHXFCSA-N 2 2 322.497 2.199 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330956013 527934286 /nfs/dbraw/zinc/93/42/86/527934286.db2.gz UJUKZKMWCKAJBI-DYVFJYSZSA-N 2 2 317.437 2.032 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330514842 1149172284 /nfs/dbraw/zinc/17/22/84/1149172284.db2.gz QSLIBESLSLYEIC-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330514842 1149172293 /nfs/dbraw/zinc/17/22/93/1149172293.db2.gz QSLIBESLSLYEIC-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001327883731 1148667488 /nfs/dbraw/zinc/66/74/88/1148667488.db2.gz WVMOHQNENAHDRG-HOCLYGCPSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273593 625320725 /nfs/dbraw/zinc/32/07/25/625320725.db2.gz QWNTZMYZINKNQJ-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273593 625320727 /nfs/dbraw/zinc/32/07/27/625320727.db2.gz QWNTZMYZINKNQJ-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972656215 625411339 /nfs/dbraw/zinc/41/13/39/625411339.db2.gz HTVZFNFNCQVBRO-KRWDZBQOSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972656215 625411340 /nfs/dbraw/zinc/41/13/40/625411340.db2.gz HTVZFNFNCQVBRO-KRWDZBQOSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723863 624005628 /nfs/dbraw/zinc/00/56/28/624005628.db2.gz ZUQYRLOHGHCOBQ-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723863 624005630 /nfs/dbraw/zinc/00/56/30/624005630.db2.gz ZUQYRLOHGHCOBQ-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022285347 624552514 /nfs/dbraw/zinc/55/25/14/624552514.db2.gz GOBJPNMXULQPMG-TXEJJXNPSA-N 2 2 304.781 2.166 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365377 633242306 /nfs/dbraw/zinc/24/23/06/633242306.db2.gz URDSELSOLMOAKK-GJZGRUSLSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000996717371 633373667 /nfs/dbraw/zinc/37/36/67/633373667.db2.gz OZKAGJWJWUIIRV-UHFFFAOYSA-N 2 2 324.856 2.260 20 30 DEEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000997086948 633572978 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IYZWBAMBBKWFNE-LSDHHAIUSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000981197567 635358392 /nfs/dbraw/zinc/35/83/92/635358392.db2.gz IYZWBAMBBKWFNE-LSDHHAIUSA-N 2 2 313.873 2.004 20 30 DEEDLP CC1=NO[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000895307303 637914994 /nfs/dbraw/zinc/91/49/94/637914994.db2.gz PLZYVYNBTSXKGG-GOSISDBHSA-N 2 2 312.417 2.277 20 30 DEEDLP C(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000758372096 639952233 /nfs/dbraw/zinc/95/22/33/639952233.db2.gz HMEYBNJWBVLUKU-UHFFFAOYSA-N 2 2 301.438 2.091 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000992721859 647197057 /nfs/dbraw/zinc/19/70/57/647197057.db2.gz QCJFRHLGZQZCQX-BHYGNILZSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992721859 647197061 /nfs/dbraw/zinc/19/70/61/647197061.db2.gz QCJFRHLGZQZCQX-BHYGNILZSA-N 2 2 316.449 2.135 20 30 DEEDLP 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C=CC[NH+]1CC(N(CC)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000950976030 1081450996 /nfs/dbraw/zinc/45/09/96/1081450996.db2.gz VVNZEXJPWQJYNW-UHFFFAOYSA-N 2 2 315.461 2.123 20 30 DEEDLP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001672942320 1081724552 /nfs/dbraw/zinc/72/45/52/1081724552.db2.gz AXOFIUNGBSPJAM-MRXNPFEDSA-N 2 2 324.428 2.264 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271549292 1082078139 /nfs/dbraw/zinc/07/81/39/1082078139.db2.gz JACYASZFNBHFNZ-HIFRSBDPSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001271749720 1082144321 /nfs/dbraw/zinc/14/43/21/1082144321.db2.gz GMTVPEIQFXXZTM-YOEHRIQHSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001280455230 1082661308 /nfs/dbraw/zinc/66/13/08/1082661308.db2.gz IASVAOWLFCDXFC-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001277755919 1084131766 /nfs/dbraw/zinc/13/17/66/1084131766.db2.gz KNMDKBMFMBQLCU-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001485889491 1084964995 /nfs/dbraw/zinc/96/49/95/1084964995.db2.gz QQPGLKSIVJITNR-GFCCVEGCSA-N 2 2 312.845 2.116 20 30 DEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961363169 1085706147 /nfs/dbraw/zinc/70/61/47/1085706147.db2.gz MIVLHAFZVQSXOT-PIIMJCKOSA-N 2 2 322.412 2.108 20 30 DEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961363169 1085706151 /nfs/dbraw/zinc/70/61/51/1085706151.db2.gz MIVLHAFZVQSXOT-PIIMJCKOSA-N 2 2 322.412 2.108 20 30 DEEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3cc(C#N)c(C#N)cc3c2)CC1 ZINC001168740834 1086178631 /nfs/dbraw/zinc/17/86/31/1086178631.db2.gz PCARIIWRUYYTMH-UHFFFAOYSA-N 2 2 318.384 2.177 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963340255 1086414497 /nfs/dbraw/zinc/41/44/97/1086414497.db2.gz QFWKRJBTDDKWJE-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963340255 1086414501 /nfs/dbraw/zinc/41/45/01/1086414501.db2.gz QFWKRJBTDDKWJE-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963375172 1086434143 /nfs/dbraw/zinc/43/41/43/1086434143.db2.gz UWMCGDANLKIPDQ-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963375172 1086434147 /nfs/dbraw/zinc/43/41/47/1086434147.db2.gz UWMCGDANLKIPDQ-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957132088 1088051019 /nfs/dbraw/zinc/05/10/19/1088051019.db2.gz KILLODMCLQNGIS-HOTGVXAUSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957611993 1088459587 /nfs/dbraw/zinc/45/95/87/1088459587.db2.gz DOCQMLDIBJKRCO-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052595 1088584609 /nfs/dbraw/zinc/58/46/09/1088584609.db2.gz MIIQVMJGCZHXMA-IAQYHMDHSA-N 2 2 318.808 2.137 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052595 1088584627 /nfs/dbraw/zinc/58/46/27/1088584627.db2.gz MIIQVMJGCZHXMA-IAQYHMDHSA-N 2 2 318.808 2.137 20 30 DEEDLP C=CCCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273493400 1091881803 /nfs/dbraw/zinc/88/18/03/1091881803.db2.gz YBELELMPIHUNEY-MRXNPFEDSA-N 2 2 316.449 2.105 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001490604558 1093442909 /nfs/dbraw/zinc/44/29/09/1093442909.db2.gz NNVFFQHQHLPXME-GOEBONIOSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001490604558 1093442910 /nfs/dbraw/zinc/44/29/10/1093442910.db2.gz NNVFFQHQHLPXME-GOEBONIOSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798535 1138332485 /nfs/dbraw/zinc/33/24/85/1138332485.db2.gz SCWTWGVWUZUQAO-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798535 1138332490 /nfs/dbraw/zinc/33/24/90/1138332490.db2.gz SCWTWGVWUZUQAO-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1OC ZINC001237394379 1138608880 /nfs/dbraw/zinc/60/88/80/1138608880.db2.gz VDQQIQOMXZDLQZ-DLBZAZTESA-N 2 2 314.429 2.281 20 30 DEEDLP C#CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1OC ZINC001237394379 1138608890 /nfs/dbraw/zinc/60/88/90/1138608890.db2.gz VDQQIQOMXZDLQZ-DLBZAZTESA-N 2 2 314.429 2.281 20 30 DEEDLP C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359309 1140888109 /nfs/dbraw/zinc/88/81/09/1140888109.db2.gz AMYLCHZCLIPIKE-BEFAXECRSA-N 2 2 312.461 2.253 20 30 DEEDLP C[C@@H]1CC[C@H](NC2CC[NH+](Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359309 1140888110 /nfs/dbraw/zinc/88/81/10/1140888110.db2.gz AMYLCHZCLIPIKE-BEFAXECRSA-N 2 2 312.461 2.253 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001322336565 1141528789 /nfs/dbraw/zinc/52/87/89/1141528789.db2.gz JXUSLQCHIYLPSM-GOEBONIOSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001322336565 1141528803 /nfs/dbraw/zinc/52/88/03/1141528803.db2.gz JXUSLQCHIYLPSM-GOEBONIOSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001278533508 1142019580 /nfs/dbraw/zinc/01/95/80/1142019580.db2.gz UXZRKUYADVFEPW-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001278533508 1142019589 /nfs/dbraw/zinc/01/95/89/1142019589.db2.gz UXZRKUYADVFEPW-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001252570856 1142768570 /nfs/dbraw/zinc/76/85/70/1142768570.db2.gz BYSPHQJCIUEFGA-SFHVURJKSA-N 2 2 304.434 2.186 20 30 DEEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252596035 1142777159 /nfs/dbraw/zinc/77/71/59/1142777159.db2.gz MXARWAZPNRTLEA-CEXWTWQISA-N 2 2 315.461 2.162 20 30 DEEDLP C=CCC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252596035 1142777171 /nfs/dbraw/zinc/77/71/71/1142777171.db2.gz MXARWAZPNRTLEA-CEXWTWQISA-N 2 2 315.461 2.162 20 30 DEEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252596035 1142777180 /nfs/dbraw/zinc/77/71/80/1142777180.db2.gz MXARWAZPNRTLEA-CEXWTWQISA-N 2 2 315.461 2.162 20 30 DEEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252596035 1142777190 /nfs/dbraw/zinc/77/71/90/1142777190.db2.gz MXARWAZPNRTLEA-CEXWTWQISA-N 2 2 315.461 2.162 20 30 DEEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254860594 1143342410 /nfs/dbraw/zinc/34/24/10/1143342410.db2.gz RPFMZYTVLSXZMU-QYZOEREBSA-N 2 2 320.477 2.297 20 30 DEEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254860594 1143342415 /nfs/dbraw/zinc/34/24/15/1143342415.db2.gz RPFMZYTVLSXZMU-QYZOEREBSA-N 2 2 320.477 2.297 20 30 DEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001279103589 1144091496 /nfs/dbraw/zinc/09/14/96/1144091496.db2.gz RZVWBPZTXAMVTE-CJNGLKHVSA-N 2 2 312.417 2.126 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265095441 1144642302 /nfs/dbraw/zinc/64/23/02/1144642302.db2.gz WNQYAUBMQWJBLZ-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708777 1144732552 /nfs/dbraw/zinc/73/25/52/1144732552.db2.gz SZUPJCJMLUANIR-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708777 1144732557 /nfs/dbraw/zinc/73/25/57/1144732557.db2.gz SZUPJCJMLUANIR-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP N#CC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000702564587 1144800506 /nfs/dbraw/zinc/80/05/06/1144800506.db2.gz YLWBDOIUNFUBJP-LJQANCHMSA-N 2 2 313.445 2.297 20 30 DEEDLP N#CC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000702564587 1144800507 /nfs/dbraw/zinc/80/05/07/1144800507.db2.gz YLWBDOIUNFUBJP-LJQANCHMSA-N 2 2 313.445 2.297 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001279567853 1144824721 /nfs/dbraw/zinc/82/47/21/1144824721.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001279567853 1144824722 /nfs/dbraw/zinc/82/47/22/1144824722.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001279567853 1144824723 /nfs/dbraw/zinc/82/47/23/1144824723.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001279567853 1144824724 /nfs/dbraw/zinc/82/47/24/1144824724.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001282718053 1145142300 /nfs/dbraw/zinc/14/23/00/1145142300.db2.gz WNYPFMMKWCWUNC-RDJZCZTQSA-N 2 2 318.465 2.483 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284031586 1145761147 /nfs/dbraw/zinc/76/11/47/1145761147.db2.gz KSSUUMBWXYZAEF-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001492279556 1147198446 /nfs/dbraw/zinc/19/84/46/1147198446.db2.gz ICMCKSSSUITSNG-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001492279556 1147198449 /nfs/dbraw/zinc/19/84/49/1147198449.db2.gz ICMCKSSSUITSNG-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001492279556 1147198450 /nfs/dbraw/zinc/19/84/50/1147198450.db2.gz ICMCKSSSUITSNG-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001492279556 1147198453 /nfs/dbraw/zinc/19/84/53/1147198453.db2.gz ICMCKSSSUITSNG-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001366904480 1147614635 /nfs/dbraw/zinc/61/46/35/1147614635.db2.gz KZIGCOIXUCAZCH-AWEZNQCLSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001366904480 1147614637 /nfs/dbraw/zinc/61/46/37/1147614637.db2.gz KZIGCOIXUCAZCH-AWEZNQCLSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001366904480 1147614639 /nfs/dbraw/zinc/61/46/39/1147614639.db2.gz KZIGCOIXUCAZCH-AWEZNQCLSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001366904480 1147614641 /nfs/dbraw/zinc/61/46/41/1147614641.db2.gz KZIGCOIXUCAZCH-AWEZNQCLSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317682532 1147743503 /nfs/dbraw/zinc/74/35/03/1147743503.db2.gz LXFNMNVXLIPEFQ-ZDUSSCGKSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317688484 1147744407 /nfs/dbraw/zinc/74/44/07/1147744407.db2.gz XCYYFGLRZUCDGE-GJZGRUSLSA-N 2 2 304.438 2.237 20 30 DEEDLP C#CCC[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001317723389 1147747280 /nfs/dbraw/zinc/74/72/80/1147747280.db2.gz GLJZMGQSYJSXTL-FUHWJXTLSA-N 2 2 324.428 2.305 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001368040108 1147839101 /nfs/dbraw/zinc/83/91/01/1147839101.db2.gz CSXHMIUNXVPQNB-HNNXBMFYSA-N 2 2 321.852 2.280 20 30 DEEDLP C=C(C)C[NH2+]C1CC[NH+](CCNC(=O)/C=C/c2ccco2)CC1 ZINC001325784807 1147999659 /nfs/dbraw/zinc/99/96/59/1147999659.db2.gz YPVBADFMRXJRFV-AATRIKPKSA-N 2 2 317.433 2.039 20 30 DEEDLP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001326525216 1148129843 /nfs/dbraw/zinc/12/98/43/1148129843.db2.gz MHRZBZWDSGIVGE-CTYIDZIISA-N 2 2 310.401 2.074 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001326541729 1148135957 /nfs/dbraw/zinc/13/59/57/1148135957.db2.gz LQTLMUIAJNZMIQ-SHTZXODSSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272808485 210211775 /nfs/dbraw/zinc/21/17/75/210211775.db2.gz CRMVJONJUFWXIR-CQSZACIVSA-N 2 2 319.430 2.124 20 30 DEEDLP CNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000264115530 530039418 /nfs/dbraw/zinc/03/94/18/530039418.db2.gz SLDOTYWXQAEXMS-OAHLLOKOSA-N 2 2 314.458 2.382 20 30 DEEDLP CNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000264115530 530039420 /nfs/dbraw/zinc/03/94/20/530039420.db2.gz SLDOTYWXQAEXMS-OAHLLOKOSA-N 2 2 314.458 2.382 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000181755884 199348190 /nfs/dbraw/zinc/34/81/90/199348190.db2.gz XBBBHXNKWZQUBD-QRVBRYPASA-N 2 2 311.429 2.432 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088868102 781987885 /nfs/dbraw/zinc/98/78/85/781987885.db2.gz KSJXENXXNYIRBM-FPCVCCKLSA-N 2 2 316.449 2.069 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088868102 781987898 /nfs/dbraw/zinc/98/78/98/781987898.db2.gz KSJXENXXNYIRBM-FPCVCCKLSA-N 2 2 316.449 2.069 20 30 DEEDLP Cn1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC000190753399 145047651 /nfs/dbraw/zinc/04/76/51/145047651.db2.gz FIQDAYAXJRTIRX-UHFFFAOYSA-N 2 2 305.385 2.431 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349296826 146365737 /nfs/dbraw/zinc/36/57/37/146365737.db2.gz MWBJIZUZQOBBAE-CQSZACIVSA-N 2 2 318.490 2.220 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349296826 146365741 /nfs/dbraw/zinc/36/57/41/146365741.db2.gz MWBJIZUZQOBBAE-CQSZACIVSA-N 2 2 318.490 2.220 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1F ZINC000374422713 148245352 /nfs/dbraw/zinc/24/53/52/148245352.db2.gz SLTJJQFTASBARW-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1F ZINC000374422713 148245354 /nfs/dbraw/zinc/24/53/54/148245354.db2.gz SLTJJQFTASBARW-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP CC1CCN(C(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000122461278 402079533 /nfs/dbraw/zinc/07/95/33/402079533.db2.gz POQPKZSIMWTNEL-UHFFFAOYSA-N 2 2 322.497 2.068 20 30 DEEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000125233129 402220385 /nfs/dbraw/zinc/22/03/85/402220385.db2.gz JKJFMBMCOAQSPL-IBGZPJMESA-N 2 2 323.444 2.464 20 30 DEEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1C#N ZINC000187366820 402496204 /nfs/dbraw/zinc/49/62/04/402496204.db2.gz CPPDVFKTWACYOB-UHFFFAOYSA-N 2 2 320.868 2.281 20 30 DEEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1C#N ZINC000187366820 402496206 /nfs/dbraw/zinc/49/62/06/402496206.db2.gz CPPDVFKTWACYOB-UHFFFAOYSA-N 2 2 320.868 2.281 20 30 DEEDLP C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)C[NH+]1CCOCC1 ZINC000181781740 402657139 /nfs/dbraw/zinc/65/71/39/402657139.db2.gz OFJGGUHOLHMRGD-HZPDHXFCSA-N 2 2 317.433 2.208 20 30 DEEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C#N)o3)[nH+]c2)C1 ZINC000269483482 403143070 /nfs/dbraw/zinc/14/30/70/403143070.db2.gz GNOTVMZGRSFSNP-AWEZNQCLSA-N 2 2 311.389 2.299 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430571 403381268 /nfs/dbraw/zinc/38/12/68/403381268.db2.gz CWYVGCRAIWJCRC-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430571 403381272 /nfs/dbraw/zinc/38/12/72/403381272.db2.gz CWYVGCRAIWJCRC-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339430571 403381277 /nfs/dbraw/zinc/38/12/77/403381277.db2.gz CWYVGCRAIWJCRC-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339430571 403381280 /nfs/dbraw/zinc/38/12/80/403381280.db2.gz CWYVGCRAIWJCRC-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000337172906 403968619 /nfs/dbraw/zinc/96/86/19/403968619.db2.gz GUFZZJSKDKMYKY-SQNIBIBYSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000337172906 403968621 /nfs/dbraw/zinc/96/86/21/403968621.db2.gz GUFZZJSKDKMYKY-SQNIBIBYSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000337172906 403968623 /nfs/dbraw/zinc/96/86/23/403968623.db2.gz GUFZZJSKDKMYKY-SQNIBIBYSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000337172906 403968625 /nfs/dbraw/zinc/96/86/25/403968625.db2.gz GUFZZJSKDKMYKY-SQNIBIBYSA-N 2 2 319.493 2.360 20 30 DEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337220356 403973027 /nfs/dbraw/zinc/97/30/27/403973027.db2.gz DBLXVGZHBAVCHU-INIZCTEOSA-N 2 2 320.481 2.135 20 30 DEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337220356 403973037 /nfs/dbraw/zinc/97/30/37/403973037.db2.gz DBLXVGZHBAVCHU-INIZCTEOSA-N 2 2 320.481 2.135 20 30 DEEDLP Cn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC000348188693 404050810 /nfs/dbraw/zinc/05/08/10/404050810.db2.gz UGOIFJBSIACDSE-UHFFFAOYSA-N 2 2 305.385 2.431 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350731484 404455038 /nfs/dbraw/zinc/45/50/38/404455038.db2.gz APEYJRWJSPXYFC-FUHWJXTLSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350731484 404455043 /nfs/dbraw/zinc/45/50/43/404455043.db2.gz APEYJRWJSPXYFC-FUHWJXTLSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350731484 404455049 /nfs/dbraw/zinc/45/50/49/404455049.db2.gz APEYJRWJSPXYFC-FUHWJXTLSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350731484 404455055 /nfs/dbraw/zinc/45/50/55/404455055.db2.gz APEYJRWJSPXYFC-FUHWJXTLSA-N 2 2 319.493 2.239 20 30 DEEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342583400 404661886 /nfs/dbraw/zinc/66/18/86/404661886.db2.gz HRUTZNROOLADNF-UHFFFAOYSA-N 2 2 309.373 2.099 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017367 406356823 /nfs/dbraw/zinc/35/68/23/406356823.db2.gz FLSAAYBMYAQLLQ-MRXNPFEDSA-N 2 2 307.482 2.382 20 30 DEEDLP C#CCNC(=O)CC[NH2+]Cc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000491566462 406624449 /nfs/dbraw/zinc/62/44/49/406624449.db2.gz GNCHCGYMUUDQFU-UHFFFAOYSA-N 2 2 324.428 2.163 20 30 DEEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccccc1 ZINC000264068294 225300544 /nfs/dbraw/zinc/30/05/44/225300544.db2.gz CDNOONWEEVMFPP-UHFFFAOYSA-N 2 2 324.428 2.446 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccccc2)cc1 ZINC000267008389 225342170 /nfs/dbraw/zinc/34/21/70/225342170.db2.gz LHIUUGHIRXFOIC-UHFFFAOYSA-N 2 2 313.401 2.464 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655428 425195764 /nfs/dbraw/zinc/19/57/64/425195764.db2.gz MIQMHQHJTCYEHZ-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655428 425195767 /nfs/dbraw/zinc/19/57/67/425195767.db2.gz MIQMHQHJTCYEHZ-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655428 425195769 /nfs/dbraw/zinc/19/57/69/425195769.db2.gz MIQMHQHJTCYEHZ-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655428 425195774 /nfs/dbraw/zinc/19/57/74/425195774.db2.gz MIQMHQHJTCYEHZ-WMZOPIPTSA-N 2 2 307.482 2.217 20 30 DEEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCC2(C1)CCCCC2 ZINC000262772503 277750706 /nfs/dbraw/zinc/75/07/06/277750706.db2.gz ICIDZRAAOJVJKF-UHFFFAOYSA-N 2 2 324.538 2.267 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001378721235 1152423752 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MJRFPWLEQKXQFZ-HNNXBMFYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001372361113 1156374733 /nfs/dbraw/zinc/37/47/33/1156374733.db2.gz MJRFPWLEQKXQFZ-HNNXBMFYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001372361113 1156374739 /nfs/dbraw/zinc/37/47/39/1156374739.db2.gz MJRFPWLEQKXQFZ-HNNXBMFYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001372361113 1156374745 /nfs/dbraw/zinc/37/47/45/1156374745.db2.gz MJRFPWLEQKXQFZ-HNNXBMFYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392733518 1157382373 /nfs/dbraw/zinc/38/23/73/1157382373.db2.gz YEECVWVMUPTIOG-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392733518 1157382380 /nfs/dbraw/zinc/38/23/80/1157382380.db2.gz YEECVWVMUPTIOG-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001373848824 1157404687 /nfs/dbraw/zinc/40/46/87/1157404687.db2.gz OPNKZXUTGYWOTR-CHWSQXEVSA-N 2 2 322.840 2.284 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001394203491 1158367560 /nfs/dbraw/zinc/36/75/60/1158367560.db2.gz CKPVWHZECZUMIU-HNNXBMFYSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001394203491 1158367569 /nfs/dbraw/zinc/36/75/69/1158367569.db2.gz CKPVWHZECZUMIU-HNNXBMFYSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001400822147 1161828669 /nfs/dbraw/zinc/82/86/69/1161828669.db2.gz FQASROGDBAGZEH-ZDUSSCGKSA-N 2 2 312.845 2.164 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001419074828 1168180069 /nfs/dbraw/zinc/18/00/69/1168180069.db2.gz CQPAVECFMIYXEM-UKRRQHHQSA-N 2 2 324.856 2.454 20 30 DEEDLP C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001424078615 1173645994 /nfs/dbraw/zinc/64/59/94/1173645994.db2.gz INARQZMZNXXLJN-UHFFFAOYSA-N 2 2 323.868 2.439 20 30 DEEDLP C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001424078615 1173645997 /nfs/dbraw/zinc/64/59/97/1173645997.db2.gz INARQZMZNXXLJN-UHFFFAOYSA-N 2 2 323.868 2.439 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001424795378 1173936975 /nfs/dbraw/zinc/93/69/75/1173936975.db2.gz TVESMTVPURIANQ-OLZOCXBDSA-N 2 2 312.845 2.162 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001425240508 1174253359 /nfs/dbraw/zinc/25/33/59/1174253359.db2.gz DFADRVUEXDUMFO-HIFRSBDPSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001438445803 1180437802 /nfs/dbraw/zinc/43/78/02/1180437802.db2.gz LEACQDTULLPEAO-UHFFFAOYSA-N 2 2 318.808 2.042 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001446550350 1184407499 /nfs/dbraw/zinc/40/74/99/1184407499.db2.gz PPCGBNXPRSRYCQ-INIZCTEOSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001446550350 1184407501 /nfs/dbraw/zinc/40/75/01/1184407501.db2.gz PPCGBNXPRSRYCQ-INIZCTEOSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332184443 1149831199 /nfs/dbraw/zinc/83/11/99/1149831199.db2.gz IPWNOHOQAPGIMD-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332184443 1149831201 /nfs/dbraw/zinc/83/12/01/1149831201.db2.gz IPWNOHOQAPGIMD-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332184443 1149831202 /nfs/dbraw/zinc/83/12/02/1149831202.db2.gz IPWNOHOQAPGIMD-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332184443 1149831207 /nfs/dbraw/zinc/83/12/07/1149831207.db2.gz IPWNOHOQAPGIMD-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498738 782749232 /nfs/dbraw/zinc/74/92/32/782749232.db2.gz NKPMUJRMTKZLMN-BRWVUGGUSA-N 2 2 318.465 2.312 20 30 DEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419426 783088455 /nfs/dbraw/zinc/08/84/55/783088455.db2.gz GGOJPGNVAGIJGW-OAHLLOKOSA-N 2 2 324.428 2.417 20 30 DEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419426 783088464 /nfs/dbraw/zinc/08/84/64/783088464.db2.gz GGOJPGNVAGIJGW-OAHLLOKOSA-N 2 2 324.428 2.417 20 30 DEEDLP N#Cc1c2c(cnc1N1CCC(n3cc[nH+]c3)CC1)C[NH2+]CCC2 ZINC001167126846 776704501 /nfs/dbraw/zinc/70/45/01/776704501.db2.gz RZDMAHQUMMXANH-UHFFFAOYSA-N 2 2 322.416 2.027 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2cc[nH]c2c[nH+]1 ZINC001171069054 790549755 /nfs/dbraw/zinc/54/97/55/790549755.db2.gz ZTTPZJSSNXEHSN-ZDUSSCGKSA-N 2 2 302.378 2.202 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625568 779384507 /nfs/dbraw/zinc/38/45/07/779384507.db2.gz MMTTZSBDSLHCEU-RRFJBIMHSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625568 779384511 /nfs/dbraw/zinc/38/45/11/779384511.db2.gz MMTTZSBDSLHCEU-RRFJBIMHSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001087625568 779384514 /nfs/dbraw/zinc/38/45/14/779384514.db2.gz MMTTZSBDSLHCEU-RRFJBIMHSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001087625568 779384522 /nfs/dbraw/zinc/38/45/22/779384522.db2.gz MMTTZSBDSLHCEU-RRFJBIMHSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000985491154 779864422 /nfs/dbraw/zinc/86/44/22/779864422.db2.gz BUBFZJZMFSHIOS-UHFFFAOYSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000985491154 779864428 /nfs/dbraw/zinc/86/44/28/779864428.db2.gz BUBFZJZMFSHIOS-UHFFFAOYSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343847 781224640 /nfs/dbraw/zinc/22/46/40/781224640.db2.gz RVZWZBRAYIVFNU-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343847 781224645 /nfs/dbraw/zinc/22/46/45/781224645.db2.gz RVZWZBRAYIVFNU-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076343847 781224650 /nfs/dbraw/zinc/22/46/50/781224650.db2.gz RVZWZBRAYIVFNU-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076343847 781224653 /nfs/dbraw/zinc/22/46/53/781224653.db2.gz RVZWZBRAYIVFNU-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274972 783488242 /nfs/dbraw/zinc/48/82/42/783488242.db2.gz NRHSBIMFPPJPTD-ABFRBSLYSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274972 783488249 /nfs/dbraw/zinc/48/82/49/783488249.db2.gz NRHSBIMFPPJPTD-ABFRBSLYSA-N 2 2 316.449 2.039 20 30 DEEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085381545 783662519 /nfs/dbraw/zinc/66/25/19/783662519.db2.gz GRUOYDKDNZHSLH-QZTJIDSGSA-N 2 2 322.412 2.136 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)C ZINC000968892893 784640058 /nfs/dbraw/zinc/64/00/58/784640058.db2.gz DPPBOGPTXAZBJI-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)C ZINC000968892893 784640065 /nfs/dbraw/zinc/64/00/65/784640065.db2.gz DPPBOGPTXAZBJI-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(=C)C ZINC000968892893 784640070 /nfs/dbraw/zinc/64/00/70/784640070.db2.gz DPPBOGPTXAZBJI-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(=C)C ZINC000968892893 784640077 /nfs/dbraw/zinc/64/00/77/784640077.db2.gz DPPBOGPTXAZBJI-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901523 784643100 /nfs/dbraw/zinc/64/31/00/784643100.db2.gz ANAFUQFRQDAYJD-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901523 784643103 /nfs/dbraw/zinc/64/31/03/784643103.db2.gz ANAFUQFRQDAYJD-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901523 784643107 /nfs/dbraw/zinc/64/31/07/784643107.db2.gz ANAFUQFRQDAYJD-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901523 784643114 /nfs/dbraw/zinc/64/31/14/784643114.db2.gz ANAFUQFRQDAYJD-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCOC(=O)N1CCC2(C[NH+](C3CC[NH+](CC)CC3)C2)CC1 ZINC001169246013 785112990 /nfs/dbraw/zinc/11/29/90/785112990.db2.gz LTQHAUVZFPJISI-UHFFFAOYSA-N 2 2 321.465 2.191 20 30 DEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570036 786160555 /nfs/dbraw/zinc/16/05/55/786160555.db2.gz AOVKHRYYHQPGAN-YJBOKZPZSA-N 2 2 316.449 2.055 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195102 787958743 /nfs/dbraw/zinc/95/87/43/787958743.db2.gz JXOWYRVMMZNPAU-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195102 787958747 /nfs/dbraw/zinc/95/87/47/787958747.db2.gz JXOWYRVMMZNPAU-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132455986 788077951 /nfs/dbraw/zinc/07/79/51/788077951.db2.gz BXSPOLHMJNAGJU-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132455986 788077958 /nfs/dbraw/zinc/07/79/58/788077958.db2.gz BXSPOLHMJNAGJU-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C)(C#N)CC3)s2)CC1 ZINC001139323568 788187062 /nfs/dbraw/zinc/18/70/62/788187062.db2.gz MRXKEIYGLPDFES-UHFFFAOYSA-N 2 2 319.478 2.021 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056840 789611575 /nfs/dbraw/zinc/61/15/75/789611575.db2.gz VKPUJQKTEQVLDE-LSDHHAIUSA-N 2 2 306.454 2.192 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609956 789813032 /nfs/dbraw/zinc/81/30/32/789813032.db2.gz PHXBTPUFEASONV-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609956 789813039 /nfs/dbraw/zinc/81/30/39/789813039.db2.gz PHXBTPUFEASONV-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086951009 791862627 /nfs/dbraw/zinc/86/26/27/791862627.db2.gz QWFFIVMWKFGLRN-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954948 791863368 /nfs/dbraw/zinc/86/33/68/791863368.db2.gz ZDDDPNKBNPHVQD-CQSZACIVSA-N 2 2 316.449 2.150 20 30 DEEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171410366 792376076 /nfs/dbraw/zinc/37/60/76/792376076.db2.gz ULBNDXTVQZVLJG-IAGOWNOFSA-N 2 2 318.465 2.368 20 30 DEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307732 793394433 /nfs/dbraw/zinc/39/44/33/793394433.db2.gz IVUKINQDBWHMFU-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307732 793394443 /nfs/dbraw/zinc/39/44/43/793394443.db2.gz IVUKINQDBWHMFU-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307732 793394451 /nfs/dbraw/zinc/39/44/51/793394451.db2.gz IVUKINQDBWHMFU-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172307732 793394460 /nfs/dbraw/zinc/39/44/60/793394460.db2.gz IVUKINQDBWHMFU-ZYSHUDEJSA-N 2 2 313.445 2.142 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926639 793824380 /nfs/dbraw/zinc/82/43/80/793824380.db2.gz NHBUIUUDKCRYFM-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926639 793824396 /nfs/dbraw/zinc/82/43/96/793824396.db2.gz NHBUIUUDKCRYFM-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386801 794618406 /nfs/dbraw/zinc/61/84/06/794618406.db2.gz NVOLAWLMLPFQEW-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386801 794618412 /nfs/dbraw/zinc/61/84/12/794618412.db2.gz NVOLAWLMLPFQEW-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431009 794675297 /nfs/dbraw/zinc/67/52/97/794675297.db2.gz GPDVNOLZSTTZPE-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580856 794827880 /nfs/dbraw/zinc/82/78/80/794827880.db2.gz RQKPJEXUXCSLLJ-HUUCEWRRSA-N 2 2 316.449 2.498 20 30 DEEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580856 794827889 /nfs/dbraw/zinc/82/78/89/794827889.db2.gz RQKPJEXUXCSLLJ-HUUCEWRRSA-N 2 2 316.449 2.498 20 30 DEEDLP CC[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439693 794956735 /nfs/dbraw/zinc/95/67/35/794956735.db2.gz NPRCQQULQFOHHK-UHFFFAOYSA-N 2 2 304.413 2.313 20 30 DEEDLP CC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439693 794956739 /nfs/dbraw/zinc/95/67/39/794956739.db2.gz NPRCQQULQFOHHK-UHFFFAOYSA-N 2 2 304.413 2.313 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178978649 795033806 /nfs/dbraw/zinc/03/38/06/795033806.db2.gz SKOUSJHDOCIABR-HOCLYGCPSA-N 2 2 317.433 2.178 20 30 DEEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121493969 795639323 /nfs/dbraw/zinc/63/93/23/795639323.db2.gz HQJRGQVPMYLALO-UHFFFAOYSA-N 2 2 316.449 2.256 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122290349 795743921 /nfs/dbraw/zinc/74/39/21/795743921.db2.gz KGJWCBBGKFMBAT-JFPDKAJLSA-N 2 2 316.449 2.255 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183177065 795816186 /nfs/dbraw/zinc/81/61/86/795816186.db2.gz YXWVFHPOGKZFNB-RDTXWAMCSA-N 2 2 318.465 2.338 20 30 DEEDLP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)cc1OC ZINC001138348315 796202611 /nfs/dbraw/zinc/20/26/11/796202611.db2.gz QUSXDKICGGZXHV-CALCHBBNSA-N 2 2 314.429 2.091 20 30 DEEDLP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1OC ZINC001138348315 796202617 /nfs/dbraw/zinc/20/26/17/796202617.db2.gz QUSXDKICGGZXHV-CALCHBBNSA-N 2 2 314.429 2.091 20 30 DEEDLP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1OC ZINC001138348315 796202620 /nfs/dbraw/zinc/20/26/20/796202620.db2.gz QUSXDKICGGZXHV-CALCHBBNSA-N 2 2 314.429 2.091 20 30 DEEDLP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1OC ZINC001138348315 796202623 /nfs/dbraw/zinc/20/26/23/796202623.db2.gz QUSXDKICGGZXHV-CALCHBBNSA-N 2 2 314.429 2.091 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013347 796493589 /nfs/dbraw/zinc/49/35/89/796493589.db2.gz JCWVCUHYMVCJQR-HOTGVXAUSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013347 796493593 /nfs/dbraw/zinc/49/35/93/796493593.db2.gz JCWVCUHYMVCJQR-HOTGVXAUSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239811 797823295 /nfs/dbraw/zinc/82/32/95/797823295.db2.gz KOXBLOJHDCAPAY-UONOGXRCSA-N 2 2 322.840 2.043 20 30 DEEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149700 797933489 /nfs/dbraw/zinc/93/34/89/797933489.db2.gz WEUJNVSKQPMTKH-OAHLLOKOSA-N 2 2 312.417 2.499 20 30 DEEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149700 797933491 /nfs/dbraw/zinc/93/34/91/797933491.db2.gz WEUJNVSKQPMTKH-OAHLLOKOSA-N 2 2 312.417 2.499 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153708 798151068 /nfs/dbraw/zinc/15/10/68/798151068.db2.gz OYQHNNZGPJMSDB-WBVHZDCISA-N 2 2 318.465 2.087 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153708 798151071 /nfs/dbraw/zinc/15/10/71/798151071.db2.gz OYQHNNZGPJMSDB-WBVHZDCISA-N 2 2 318.465 2.087 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396747 798181175 /nfs/dbraw/zinc/18/11/75/798181175.db2.gz MODNROKZXWBHPD-HOTGVXAUSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396747 798181179 /nfs/dbraw/zinc/18/11/79/798181179.db2.gz MODNROKZXWBHPD-HOTGVXAUSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396747 798181182 /nfs/dbraw/zinc/18/11/82/798181182.db2.gz MODNROKZXWBHPD-HOTGVXAUSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396747 798181185 /nfs/dbraw/zinc/18/11/85/798181185.db2.gz MODNROKZXWBHPD-HOTGVXAUSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197908068 798259155 /nfs/dbraw/zinc/25/91/55/798259155.db2.gz SGQRAHHNXIYAJU-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197908068 798259160 /nfs/dbraw/zinc/25/91/60/798259160.db2.gz SGQRAHHNXIYAJU-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197908068 798259166 /nfs/dbraw/zinc/25/91/66/798259166.db2.gz SGQRAHHNXIYAJU-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197908068 798259169 /nfs/dbraw/zinc/25/91/69/798259169.db2.gz SGQRAHHNXIYAJU-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158773546 798468042 /nfs/dbraw/zinc/46/80/42/798468042.db2.gz QRWGUGDJSRDIKX-OAHLLOKOSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001158773546 798468043 /nfs/dbraw/zinc/46/80/43/798468043.db2.gz QRWGUGDJSRDIKX-OAHLLOKOSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158773546 798468046 /nfs/dbraw/zinc/46/80/46/798468046.db2.gz QRWGUGDJSRDIKX-OAHLLOKOSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158773546 798468049 /nfs/dbraw/zinc/46/80/49/798468049.db2.gz QRWGUGDJSRDIKX-OAHLLOKOSA-N 2 2 315.889 2.394 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]c(C)ccc1CC#N ZINC001159924232 798627018 /nfs/dbraw/zinc/62/70/18/798627018.db2.gz IGUKNBBPYMWFLD-HNNXBMFYSA-N 2 2 316.405 2.095 20 30 DEEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705177 798917417 /nfs/dbraw/zinc/91/74/17/798917417.db2.gz NAWZJRWHGRGUEG-UHFFFAOYSA-N 2 2 316.449 2.067 20 30 DEEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705177 798917425 /nfs/dbraw/zinc/91/74/25/798917425.db2.gz NAWZJRWHGRGUEG-UHFFFAOYSA-N 2 2 316.449 2.067 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138470 799833430 /nfs/dbraw/zinc/83/34/30/799833430.db2.gz LTMKRSLCLFBORJ-UHFFFAOYSA-N 2 2 312.417 2.400 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166334324 799858933 /nfs/dbraw/zinc/85/89/33/799858933.db2.gz BRFCIVUQFSSPPG-UHFFFAOYSA-N 2 2 318.465 2.195 20 30 DEEDLP C=CCCC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205118940 800299916 /nfs/dbraw/zinc/29/99/16/800299916.db2.gz IHAMMRZZRFIGJG-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679706 800399713 /nfs/dbraw/zinc/39/97/13/800399713.db2.gz NAXBSULRGKUZOW-UHFFFAOYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC001207140304 800691793 /nfs/dbraw/zinc/69/17/93/800691793.db2.gz QCPHFXYMUGSOMZ-UHFFFAOYSA-N 2 2 318.465 2.083 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001207160829 800700040 /nfs/dbraw/zinc/70/00/40/800700040.db2.gz FQYNGPLHGQWGEL-UHFFFAOYSA-N 2 2 314.477 2.182 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001229138578 801228910 /nfs/dbraw/zinc/22/89/10/801228910.db2.gz BJRCKSDTMRTVPR-HNNXBMFYSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229559681 801291983 /nfs/dbraw/zinc/29/19/83/801291983.db2.gz ZIAFACHOYRSWQG-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229559681 801291988 /nfs/dbraw/zinc/29/19/88/801291988.db2.gz ZIAFACHOYRSWQG-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847224 801473860 /nfs/dbraw/zinc/47/38/60/801473860.db2.gz MTNHPMMNWQUJDR-UKRRQHHQSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098441 802642023 /nfs/dbraw/zinc/64/20/23/802642023.db2.gz MVECTJYZHQJTQM-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128754 803205556 /nfs/dbraw/zinc/20/55/56/803205556.db2.gz YCRCWSUDFHKXNW-DJIMGWMZSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227166118 803210545 /nfs/dbraw/zinc/21/05/45/803210545.db2.gz SEODVRJESUBPTF-DJIMGWMZSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227867517 803289770 /nfs/dbraw/zinc/28/97/70/803289770.db2.gz HNYMNOVNFILUQF-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227867517 803289775 /nfs/dbraw/zinc/28/97/75/803289775.db2.gz HNYMNOVNFILUQF-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418584343 1167827270 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HKFLGRKFJHVRMA-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001267874488 1079562615 /nfs/dbraw/zinc/56/26/15/1079562615.db2.gz VCKHPRZCJMFMNH-PBHICJAKSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001484413845 1079598819 /nfs/dbraw/zinc/59/88/19/1079598819.db2.gz VGNCKBKVAITXGJ-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001484413845 1079598825 /nfs/dbraw/zinc/59/88/25/1079598825.db2.gz VGNCKBKVAITXGJ-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484573462 1079666347 /nfs/dbraw/zinc/66/63/47/1079666347.db2.gz BGTSWYBEDQXGFR-SHTZXODSSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001481399271 1079783935 /nfs/dbraw/zinc/78/39/35/1079783935.db2.gz ABHBVCMKCRNOBW-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001481399271 1079783944 /nfs/dbraw/zinc/78/39/44/1079783944.db2.gz ABHBVCMKCRNOBW-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001656592231 1080105484 /nfs/dbraw/zinc/10/54/84/1080105484.db2.gz OOURROQDKUPUEA-ZBFHGGJFSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001268143945 1080115084 /nfs/dbraw/zinc/11/50/84/1080115084.db2.gz WTUJXEJYPZBRFC-SJORKVTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001268188207 1080177141 /nfs/dbraw/zinc/17/71/41/1080177141.db2.gz HJEUYAABLGREOY-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001268216925 1080201493 /nfs/dbraw/zinc/20/14/93/1080201493.db2.gz UNAJQVRKWLYNHK-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001268216925 1080201496 /nfs/dbraw/zinc/20/14/96/1080201496.db2.gz UNAJQVRKWLYNHK-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001660474804 1080337144 /nfs/dbraw/zinc/33/71/44/1080337144.db2.gz GZAJFTLUGUKEPC-IRXDYDNUSA-N 2 2 316.449 2.046 20 30 DEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001660794487 1080398521 /nfs/dbraw/zinc/39/85/21/1080398521.db2.gz NLMJDTUXVOKUCS-UHFFFAOYSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001661871105 1080538694 /nfs/dbraw/zinc/53/86/94/1080538694.db2.gz KUKFOIHXVPDODX-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001661871105 1080538697 /nfs/dbraw/zinc/53/86/97/1080538697.db2.gz KUKFOIHXVPDODX-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001663111101 1080702241 /nfs/dbraw/zinc/70/22/41/1080702241.db2.gz YRKPXBIDUCWKBY-DLBZAZTESA-N 2 2 316.449 2.218 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001663111101 1080702245 /nfs/dbraw/zinc/70/22/45/1080702245.db2.gz YRKPXBIDUCWKBY-DLBZAZTESA-N 2 2 316.449 2.218 20 30 DEEDLP C=CCC[NH2+]C[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001482151831 1080864182 /nfs/dbraw/zinc/86/41/82/1080864182.db2.gz MWKBJWKKTZNWKO-CQSZACIVSA-N 2 2 314.433 2.103 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001268771064 1080980172 /nfs/dbraw/zinc/98/01/72/1080980172.db2.gz QCZXUVNSNWLNBE-HZPDHXFCSA-N 2 2 318.465 2.491 20 30 DEEDLP C=CCC[NH2+]C[C@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001666011610 1081110422 /nfs/dbraw/zinc/11/04/22/1081110422.db2.gz KQVFASFIFNCJFK-SFHVURJKSA-N 2 2 312.417 2.399 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001666067724 1081118644 /nfs/dbraw/zinc/11/86/44/1081118644.db2.gz HIPSVQUUSPYPKR-KBXCAEBGSA-N 2 2 318.465 2.491 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001666428941 1081152287 /nfs/dbraw/zinc/15/22/87/1081152287.db2.gz YDFLFBOTFGKBPL-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001666428941 1081152289 /nfs/dbraw/zinc/15/22/89/1081152289.db2.gz YDFLFBOTFGKBPL-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001490854335 1081176460 /nfs/dbraw/zinc/17/64/60/1081176460.db2.gz XVVWPEMEUXULPL-HNNXBMFYSA-N 2 2 306.454 2.422 20 30 DEEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001667325598 1081237589 /nfs/dbraw/zinc/23/75/89/1081237589.db2.gz CEXPOYOCTHQGTA-DOTOQJQBSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CCC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001671429081 1081516622 /nfs/dbraw/zinc/51/66/22/1081516622.db2.gz WIBXHBIEDFPBGS-OAHLLOKOSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001672328558 1081583579 /nfs/dbraw/zinc/58/35/79/1081583579.db2.gz OYHIVOQMSKCJOG-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482455290 1081902277 /nfs/dbraw/zinc/90/22/77/1081902277.db2.gz WNFGOJSOCCQWAO-INIZCTEOSA-N 2 2 324.428 2.332 20 30 DEEDLP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001674665844 1081902439 /nfs/dbraw/zinc/90/24/39/1081902439.db2.gz BIYHPTMXHZAVIA-KBPBESRZSA-N 2 2 300.406 2.315 20 30 DEEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482457769 1081913882 /nfs/dbraw/zinc/91/38/82/1081913882.db2.gz XOHVRVDHBSYIDS-SJORKVTESA-N 2 2 316.449 2.218 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001271559600 1082083582 /nfs/dbraw/zinc/08/35/82/1082083582.db2.gz YSFFFHBEWFWGRS-INIZCTEOSA-N 2 2 318.465 2.290 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001271715164 1082116829 /nfs/dbraw/zinc/11/68/29/1082116829.db2.gz NMVMEPAPUFJKPJ-KBXCAEBGSA-N 2 2 324.428 2.417 20 30 DEEDLP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001271715166 1082117143 /nfs/dbraw/zinc/11/71/43/1082117143.db2.gz NMVMEPAPUFJKPJ-KSSFIOAISA-N 2 2 324.428 2.417 20 30 DEEDLP C=CCCC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482613838 1082399909 /nfs/dbraw/zinc/39/99/09/1082399909.db2.gz MIRFYDCMXJHVNF-UHFFFAOYSA-N 2 2 300.406 2.304 20 30 DEEDLP C=CCCC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482613838 1082399914 /nfs/dbraw/zinc/39/99/14/1082399914.db2.gz MIRFYDCMXJHVNF-UHFFFAOYSA-N 2 2 300.406 2.304 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001266884251 1082428733 /nfs/dbraw/zinc/42/87/33/1082428733.db2.gz BBLXICATBOQEHN-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001409377461 1082855683 /nfs/dbraw/zinc/85/56/83/1082855683.db2.gz LJYWWLNWYPZKSR-NWDGAFQWSA-N 2 2 306.797 2.183 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001483239852 1083051946 /nfs/dbraw/zinc/05/19/46/1083051946.db2.gz HWADBCJSEMROMR-KGLIPLIRSA-N 2 2 306.454 2.376 20 30 DEEDLP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001280822873 1083379032 /nfs/dbraw/zinc/37/90/32/1083379032.db2.gz OJDIWGGAVXDYKX-INIZCTEOSA-N 2 2 318.465 2.192 20 30 DEEDLP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001280822873 1083379039 /nfs/dbraw/zinc/37/90/39/1083379039.db2.gz OJDIWGGAVXDYKX-INIZCTEOSA-N 2 2 318.465 2.192 20 30 DEEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001276404557 1083388869 /nfs/dbraw/zinc/38/88/69/1083388869.db2.gz FGECXYZUOBCPKT-CQSZACIVSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001276601433 1083510184 /nfs/dbraw/zinc/51/01/84/1083510184.db2.gz OBTANKGDLMHFSE-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001276601433 1083510190 /nfs/dbraw/zinc/51/01/90/1083510190.db2.gz OBTANKGDLMHFSE-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001277447300 1083975279 /nfs/dbraw/zinc/97/52/79/1083975279.db2.gz GBKLZZYKKZYKMG-UHFFFAOYSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001277447300 1083975290 /nfs/dbraw/zinc/97/52/90/1083975290.db2.gz GBKLZZYKKZYKMG-UHFFFAOYSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491296816 1084217155 /nfs/dbraw/zinc/21/71/55/1084217155.db2.gz OVMUNEVEUNSYGE-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491296816 1084217161 /nfs/dbraw/zinc/21/71/61/1084217161.db2.gz OVMUNEVEUNSYGE-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001078657209 1084784856 /nfs/dbraw/zinc/78/48/56/1084784856.db2.gz RHDPMJVXCPTRIV-LSDHHAIUSA-N 2 2 316.449 2.130 20 30 DEEDLP 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DEEDLP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001326449688 1148103297 /nfs/dbraw/zinc/10/32/97/1148103297.db2.gz RESKKMALVVMTJG-UHFFFAOYSA-N 2 2 324.428 2.114 20 30 DEEDLP COC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181583691 199322064 /nfs/dbraw/zinc/32/20/64/199322064.db2.gz LPBDQMCXBYNUSO-OAHLLOKOSA-N 2 2 301.434 2.395 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000172120181 198042459 /nfs/dbraw/zinc/04/24/59/198042459.db2.gz MQGRMWTZFGDFHJ-UHFFFAOYSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173953118 198271691 /nfs/dbraw/zinc/27/16/91/198271691.db2.gz NYIYJZXMCUZZFF-SJORKVTESA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173953118 198271694 /nfs/dbraw/zinc/27/16/94/198271694.db2.gz NYIYJZXMCUZZFF-SJORKVTESA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173953118 198271695 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C[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000579623900 357006289 /nfs/dbraw/zinc/00/62/89/357006289.db2.gz CMBVBWSZQLTUMX-INIZCTEOSA-N 2 2 312.461 2.458 20 30 DEEDLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000579623900 357006293 /nfs/dbraw/zinc/00/62/93/357006293.db2.gz CMBVBWSZQLTUMX-INIZCTEOSA-N 2 2 312.461 2.458 20 30 DEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032416 357992015 /nfs/dbraw/zinc/99/20/15/357992015.db2.gz UYJBQXQEODJIDA-UHFFFAOYSA-N 2 2 313.445 2.193 20 30 DEEDLP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598719344 359304459 /nfs/dbraw/zinc/30/44/59/359304459.db2.gz JLKNFCCYHVCXQN-RDJZCZTQSA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598719344 359304466 /nfs/dbraw/zinc/30/44/66/359304466.db2.gz JLKNFCCYHVCXQN-RDJZCZTQSA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610813021 361471507 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ZINC000356563777 404594360 /nfs/dbraw/zinc/59/43/60/404594360.db2.gz NQOVRBGXCPBSIC-IXDOHACOSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356563777 404594366 /nfs/dbraw/zinc/59/43/66/404594366.db2.gz NQOVRBGXCPBSIC-IXDOHACOSA-N 2 2 307.482 2.264 20 30 DEEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000330401483 404651471 /nfs/dbraw/zinc/65/14/71/404651471.db2.gz FGBSWJGSOCAJLA-UHFFFAOYSA-N 2 2 314.433 2.301 20 30 DEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000330401483 404651474 /nfs/dbraw/zinc/65/14/74/404651474.db2.gz FGBSWJGSOCAJLA-UHFFFAOYSA-N 2 2 314.433 2.301 20 30 DEEDLP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1C#N ZINC000359768092 404804241 /nfs/dbraw/zinc/80/42/41/404804241.db2.gz QGOMKUYABWTTHD-CQSZACIVSA-N 2 2 311.433 2.495 20 30 DEEDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353408335 404824907 /nfs/dbraw/zinc/82/49/07/404824907.db2.gz CRTAELBUGXZQPV-PKOBYXMFSA-N 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406606603 /nfs/dbraw/zinc/60/66/03/406606603.db2.gz KJDHYVUVWCWTPV-AWEZNQCLSA-N 2 2 317.433 2.259 20 30 DEEDLP C=CC[C@]1(C(=O)NCCCCNc2cccc[nH+]2)CCC[NH2+]1 ZINC000662711777 425719347 /nfs/dbraw/zinc/71/93/47/425719347.db2.gz ORMDCPXKXDLYFW-QGZVFWFLSA-N 2 2 302.422 2.088 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001328288317 1148766044 /nfs/dbraw/zinc/76/60/44/1148766044.db2.gz ZEXHWDAFPZDJMB-CVEARBPZSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001328288317 1148766052 /nfs/dbraw/zinc/76/60/52/1148766052.db2.gz ZEXHWDAFPZDJMB-CVEARBPZSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001330261863 1149081499 /nfs/dbraw/zinc/08/14/99/1149081499.db2.gz IHMJEQDVATVTPR-LSDHHAIUSA-N 2 2 304.438 2.064 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001330261863 1149081507 /nfs/dbraw/zinc/08/15/07/1149081507.db2.gz IHMJEQDVATVTPR-LSDHHAIUSA-N 2 2 304.438 2.064 20 30 DEEDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000331813322 534816104 /nfs/dbraw/zinc/81/61/04/534816104.db2.gz UBXIQBXMVGQYOY-SWLSCSKDSA-N 2 2 302.403 2.363 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000337136591 526506694 /nfs/dbraw/zinc/50/66/94/526506694.db2.gz NILXZNGDOIWJHN-ROUUACIJSA-N 2 2 319.493 2.217 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000337136591 526506701 /nfs/dbraw/zinc/50/67/01/526506701.db2.gz NILXZNGDOIWJHN-ROUUACIJSA-N 2 2 319.493 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246227549 526543391 /nfs/dbraw/zinc/54/33/91/526543391.db2.gz RQZAIEKEHIHMPK-IRXDYDNUSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246227549 526543397 /nfs/dbraw/zinc/54/33/97/526543397.db2.gz RQZAIEKEHIHMPK-IRXDYDNUSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 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C=CCOc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668741435 540723095 /nfs/dbraw/zinc/72/30/95/540723095.db2.gz SZTPRRXJGSYKFR-GOSISDBHSA-N 2 2 316.445 2.282 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677476 361444073 /nfs/dbraw/zinc/44/40/73/361444073.db2.gz MNPHIAXVVSXNTN-VQIMIIECSA-N 2 2 312.461 2.084 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677476 361444078 /nfs/dbraw/zinc/44/40/78/361444078.db2.gz MNPHIAXVVSXNTN-VQIMIIECSA-N 2 2 312.461 2.084 20 30 DEEDLP C[C@H](CC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271808001 209234229 /nfs/dbraw/zinc/23/42/29/209234229.db2.gz AFQDQYWQDQYNJF-MRXNPFEDSA-N 3 2 314.477 2.452 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(C#N)CC3)c2cc1C ZINC000057872947 184059561 /nfs/dbraw/zinc/05/95/61/184059561.db2.gz BVTNLUGHVYWBIG-MRXNPFEDSA-N 2 2 312.417 2.250 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1F ZINC000374427061 148246105 /nfs/dbraw/zinc/24/61/05/148246105.db2.gz HAHCVRUQYTWUAA-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1F ZINC000374427061 148246107 /nfs/dbraw/zinc/24/61/07/148246107.db2.gz HAHCVRUQYTWUAA-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000566137799 292209346 /nfs/dbraw/zinc/20/93/46/292209346.db2.gz PNAGBNOUZLWWEF-MRXNPFEDSA-N 2 2 311.389 2.384 20 30 DEEDLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000566137799 292209347 /nfs/dbraw/zinc/20/93/47/292209347.db2.gz PNAGBNOUZLWWEF-MRXNPFEDSA-N 2 2 311.389 2.384 20 30 DEEDLP Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C)[nH+]1 ZINC000152203522 402081458 /nfs/dbraw/zinc/08/14/58/402081458.db2.gz MVNGOIRVYUJTID-UHFFFAOYSA-N 2 2 303.410 2.398 20 30 DEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000125231772 402220256 /nfs/dbraw/zinc/22/02/56/402220256.db2.gz UMVZJONRWPQBHA-MOPGFXCFSA-N 2 2 312.461 2.353 20 30 DEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000125231772 402220257 /nfs/dbraw/zinc/22/02/57/402220257.db2.gz UMVZJONRWPQBHA-MOPGFXCFSA-N 2 2 312.461 2.353 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157348478 402294003 /nfs/dbraw/zinc/29/40/03/402294003.db2.gz LFHXYQIZBJOCHM-QGZVFWFLSA-N 2 2 307.482 2.361 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157348478 402294005 /nfs/dbraw/zinc/29/40/05/402294005.db2.gz LFHXYQIZBJOCHM-QGZVFWFLSA-N 2 2 307.482 2.361 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278938285 402888223 /nfs/dbraw/zinc/88/82/23/402888223.db2.gz XGVYANWTYFLAAN-UHFFFAOYSA-N 2 2 321.377 2.049 20 30 DEEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000286144255 403459142 /nfs/dbraw/zinc/45/91/42/403459142.db2.gz PDBRIYCEKZYKPF-HUUCEWRRSA-N 2 2 305.422 2.216 20 30 DEEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000286144255 403459144 /nfs/dbraw/zinc/45/91/44/403459144.db2.gz PDBRIYCEKZYKPF-HUUCEWRRSA-N 2 2 305.422 2.216 20 30 DEEDLP C[N@H+](CCN1CC[NH+](CC2(C#N)CC2)CC1)Cc1ccccc1 ZINC000343316453 403537021 /nfs/dbraw/zinc/53/70/21/403537021.db2.gz BJJSHEMKWWUAOW-UHFFFAOYSA-N 2 2 312.461 2.040 20 30 DEEDLP C[N@@H+](CCN1CC[NH+](CC2(C#N)CC2)CC1)Cc1ccccc1 ZINC000343316453 403537027 /nfs/dbraw/zinc/53/70/27/403537027.db2.gz BJJSHEMKWWUAOW-UHFFFAOYSA-N 2 2 312.461 2.040 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070485 403750688 /nfs/dbraw/zinc/75/06/88/403750688.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070485 403750691 /nfs/dbraw/zinc/75/06/91/403750691.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070485 403750697 /nfs/dbraw/zinc/75/06/97/403750697.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070485 403750701 /nfs/dbraw/zinc/75/07/01/403750701.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 3 2 313.489 2.442 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000290363005 404140616 /nfs/dbraw/zinc/14/06/16/404140616.db2.gz MXWWAVXMHUHWDU-UHFFFAOYSA-N 2 2 323.462 2.319 20 30 DEEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329154627 404246932 /nfs/dbraw/zinc/24/69/32/404246932.db2.gz CAVBFUPYVUGGSU-KJFZJZGVSA-N 2 2 304.438 2.192 20 30 DEEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329154627 404246940 /nfs/dbraw/zinc/24/69/40/404246940.db2.gz CAVBFUPYVUGGSU-KJFZJZGVSA-N 2 2 304.438 2.192 20 30 DEEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329154627 404246945 /nfs/dbraw/zinc/24/69/45/404246945.db2.gz CAVBFUPYVUGGSU-KJFZJZGVSA-N 2 2 304.438 2.192 20 30 DEEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329154627 404246954 /nfs/dbraw/zinc/24/69/54/404246954.db2.gz CAVBFUPYVUGGSU-KJFZJZGVSA-N 2 2 304.438 2.192 20 30 DEEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCCn3cc[nH+]c31)C2 ZINC000329603376 404391138 /nfs/dbraw/zinc/39/11/38/404391138.db2.gz YKULCUYUXUTKKA-KBPBESRZSA-N 2 2 313.405 2.485 20 30 DEEDLP CC(C)(C#N)CCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365454126 404663873 /nfs/dbraw/zinc/66/38/73/404663873.db2.gz AWHCLRCJXYPTGT-MRXNPFEDSA-N 2 2 320.481 2.121 20 30 DEEDLP CC(C)(C#N)CCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365454126 404663876 /nfs/dbraw/zinc/66/38/76/404663876.db2.gz AWHCLRCJXYPTGT-MRXNPFEDSA-N 2 2 320.481 2.121 20 30 DEEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000357524185 404736055 /nfs/dbraw/zinc/73/60/55/404736055.db2.gz BGRGSFBYFDMVIW-UHFFFAOYSA-N 2 2 319.474 2.043 20 30 DEEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000357524185 404736059 /nfs/dbraw/zinc/73/60/59/404736059.db2.gz BGRGSFBYFDMVIW-UHFFFAOYSA-N 2 2 319.474 2.043 20 30 DEEDLP C=CCOc1ccccc1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353900144 404972406 /nfs/dbraw/zinc/97/24/06/404972406.db2.gz OABZNADDPSIDEK-UHFFFAOYSA-N 2 2 312.417 2.292 20 30 DEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353979134 404980884 /nfs/dbraw/zinc/98/08/84/404980884.db2.gz PKFYYLPPNOKWIK-ZSNVMCELSA-N 2 2 307.482 2.260 20 30 DEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353979134 404980889 /nfs/dbraw/zinc/98/08/89/404980889.db2.gz PKFYYLPPNOKWIK-ZSNVMCELSA-N 2 2 307.482 2.260 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069150 406249998 /nfs/dbraw/zinc/24/99/98/406249998.db2.gz WADRPTNINAQQGM-DZGCQCFKSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069150 406250001 /nfs/dbraw/zinc/25/00/01/406250001.db2.gz WADRPTNINAQQGM-DZGCQCFKSA-N 2 2 323.400 2.108 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000554075122 406782724 /nfs/dbraw/zinc/78/27/24/406782724.db2.gz QWBFPZQEZUJLMU-CRAIPNDOSA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000554075122 406782727 /nfs/dbraw/zinc/78/27/27/406782727.db2.gz QWBFPZQEZUJLMU-CRAIPNDOSA-N 2 2 316.449 2.180 20 30 DEEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CCCCCC1 ZINC000261992916 225262721 /nfs/dbraw/zinc/26/27/21/225262721.db2.gz MUOGYXOQUAQAJR-UHFFFAOYSA-N 2 2 303.454 2.389 20 30 DEEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCCCCC1 ZINC000262477392 225273281 /nfs/dbraw/zinc/27/32/81/225273281.db2.gz HLKJMKOCRAWNNG-UHFFFAOYSA-N 2 2 322.497 2.212 20 30 DEEDLP CN(C(=[NH2+])NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000263144528 225292819 /nfs/dbraw/zinc/29/28/19/225292819.db2.gz OQFIYMNKHWDZOE-UHFFFAOYSA-N 2 2 303.797 2.435 20 30 DEEDLP CCc1noc(C)c1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000268145151 225378242 /nfs/dbraw/zinc/37/82/42/225378242.db2.gz SEEBLROBZDPPPD-UHFFFAOYSA-N 2 2 316.405 2.444 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899755 782032791 /nfs/dbraw/zinc/03/27/91/782032791.db2.gz YBKYVEMNXTZTLA-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899755 782032798 /nfs/dbraw/zinc/03/27/98/782032798.db2.gz YBKYVEMNXTZTLA-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[C@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[NH2+]1 ZINC000662788643 425735337 /nfs/dbraw/zinc/73/53/37/425735337.db2.gz PXCWFIYRAGZBMQ-GOSISDBHSA-N 2 2 310.401 2.187 20 30 DEEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262764431 277750510 /nfs/dbraw/zinc/75/05/10/277750510.db2.gz FLZXWCRHJWIEBP-HRCADAONSA-N 2 2 324.538 2.169 20 30 DEEDLP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329953566 1149022311 /nfs/dbraw/zinc/02/23/11/1149022311.db2.gz OGMORTOXRSBWBY-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329953566 1149022320 /nfs/dbraw/zinc/02/23/20/1149022320.db2.gz OGMORTOXRSBWBY-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001378714559 1152421678 /nfs/dbraw/zinc/42/16/78/1152421678.db2.gz KPZWTJAEVXPFAW-UHFFFAOYSA-N 2 2 310.829 2.032 20 30 DEEDLP C[C@@H]1CCC[C@](CNC(=O)N(C)Cc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000330709879 533898922 /nfs/dbraw/zinc/89/89/22/533898922.db2.gz SRWSHIQNWJLMPV-PBHICJAKSA-N 2 2 321.469 2.276 20 30 DEEDLP C[NH+]=C(NC[C@H](C)SC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958204 526375991 /nfs/dbraw/zinc/37/59/91/526375991.db2.gz JJHORGOIQJJMAT-MELADBBJSA-N 2 2 309.483 2.093 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264066021 526414616 /nfs/dbraw/zinc/41/46/16/526414616.db2.gz QVFMQSWRCBHWIL-AWEZNQCLSA-N 2 2 306.435 2.309 20 30 DEEDLP C=CCOc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000124217034 526890349 /nfs/dbraw/zinc/89/03/49/526890349.db2.gz SDAJJARSDAIFDF-MRXNPFEDSA-N 2 2 304.434 2.452 20 30 DEEDLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330590235 528168573 /nfs/dbraw/zinc/16/85/73/528168573.db2.gz PWAGNCFXSNWUBQ-CQSZACIVSA-N 2 2 307.442 2.164 20 30 DEEDLP CCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000330419621 528196998 /nfs/dbraw/zinc/19/69/98/528196998.db2.gz XAHLQTSRYHDVRG-UHFFFAOYSA-N 2 2 319.453 2.026 20 30 DEEDLP CC(C)c1nnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)o1 ZINC000269095144 528448220 /nfs/dbraw/zinc/44/82/20/528448220.db2.gz QHVKXNXELZXLHQ-UHFFFAOYSA-N 2 2 317.393 2.092 20 30 DEEDLP CC(C)Cc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262253052 528657713 /nfs/dbraw/zinc/65/77/13/528657713.db2.gz DFXKUCAKXZRHDU-PBHICJAKSA-N 2 2 302.466 2.425 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]12 ZINC001026312048 625289065 /nfs/dbraw/zinc/28/90/65/625289065.db2.gz PGRGCOFWCLQZCC-OWCLPIDISA-N 2 2 324.428 2.351 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025490146 625481059 /nfs/dbraw/zinc/48/10/59/625481059.db2.gz QFHIFGCSWOJBRY-CVEARBPZSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025490146 625481062 /nfs/dbraw/zinc/48/10/62/625481062.db2.gz QFHIFGCSWOJBRY-CVEARBPZSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001026518377 625494180 /nfs/dbraw/zinc/49/41/80/625494180.db2.gz RJWGTDYPGLPLGN-FHERZECASA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575685 623780218 /nfs/dbraw/zinc/78/02/18/623780218.db2.gz MFLWPTIQIHIMMQ-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575685 623780223 /nfs/dbraw/zinc/78/02/23/623780223.db2.gz MFLWPTIQIHIMMQ-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC000995954184 633147203 /nfs/dbraw/zinc/14/72/03/633147203.db2.gz WTNVUKAUHMIZMO-HNNXBMFYSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975033039 633400632 /nfs/dbraw/zinc/40/06/32/633400632.db2.gz WZRIJFKQZVECST-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975033039 633400639 /nfs/dbraw/zinc/40/06/39/633400639.db2.gz WZRIJFKQZVECST-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997671555 633923576 /nfs/dbraw/zinc/92/35/76/633923576.db2.gz ALSIJQZDDGCSKP-HNNXBMFYSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609980 634279094 /nfs/dbraw/zinc/27/90/94/634279094.db2.gz HLRQUYPHYLXPGU-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609980 634279099 /nfs/dbraw/zinc/27/90/99/634279099.db2.gz 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310.401 2.057 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001037898266 690636614 /nfs/dbraw/zinc/63/66/14/690636614.db2.gz NVMNVVQZJZHAFF-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038313473 690777410 /nfs/dbraw/zinc/77/74/10/690777410.db2.gz DKCFEDRVVZVXSX-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038313473 690777414 /nfs/dbraw/zinc/77/74/14/690777414.db2.gz DKCFEDRVVZVXSX-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250724 691069327 /nfs/dbraw/zinc/06/93/27/691069327.db2.gz PQNQHLDHIXIWPM-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250724 691069330 /nfs/dbraw/zinc/06/93/30/691069330.db2.gz PQNQHLDHIXIWPM-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040424728 691246917 /nfs/dbraw/zinc/24/69/17/691246917.db2.gz NLWSPRHLECTUMW-AEFFLSMTSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040424728 691246921 /nfs/dbraw/zinc/24/69/21/691246921.db2.gz NLWSPRHLECTUMW-AEFFLSMTSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040464164 691251035 /nfs/dbraw/zinc/25/10/35/691251035.db2.gz MDMMWMYWYYEZLN-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040464164 691251038 /nfs/dbraw/zinc/25/10/38/691251038.db2.gz MDMMWMYWYYEZLN-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001040953735 691300478 /nfs/dbraw/zinc/30/04/78/691300478.db2.gz GXUAHHRDKURWJD-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408425 691372310 /nfs/dbraw/zinc/37/23/10/691372310.db2.gz VLDPNPHKFQPPCY-IBGZPJMESA-N 2 2 322.412 2.124 20 30 DEEDLP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408425 691372311 /nfs/dbraw/zinc/37/23/11/691372311.db2.gz VLDPNPHKFQPPCY-IBGZPJMESA-N 2 2 322.412 2.124 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042036422 691491961 /nfs/dbraw/zinc/49/19/61/691491961.db2.gz VWEHBTGOQFWGRY-ZIAGYGMSSA-N 2 2 322.840 2.018 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042036422 691491966 /nfs/dbraw/zinc/49/19/66/691491966.db2.gz VWEHBTGOQFWGRY-ZIAGYGMSSA-N 2 2 322.840 2.018 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042334639 691574007 /nfs/dbraw/zinc/57/40/07/691574007.db2.gz HEGQDLKSGRMPDE-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042334639 691574009 /nfs/dbraw/zinc/57/40/09/691574009.db2.gz HEGQDLKSGRMPDE-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725161 691646146 /nfs/dbraw/zinc/64/61/46/691646146.db2.gz MTHUMLMGTUIHQF-INIZCTEOSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725161 691646149 /nfs/dbraw/zinc/64/61/49/691646149.db2.gz MTHUMLMGTUIHQF-INIZCTEOSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001044678419 691870637 /nfs/dbraw/zinc/87/06/37/691870637.db2.gz UFXLJXDGUPVMAH-LSDHHAIUSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001044678418 691870713 /nfs/dbraw/zinc/87/07/13/691870713.db2.gz UFXLJXDGUPVMAH-HUUCEWRRSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044836357 691894681 /nfs/dbraw/zinc/89/46/81/691894681.db2.gz KGBYNEMQEXYFQC-UONOGXRCSA-N 2 2 324.856 2.074 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987670 692069854 /nfs/dbraw/zinc/06/98/54/692069854.db2.gz YOMXIIJFKUXHGK-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987670 692069859 /nfs/dbraw/zinc/06/98/59/692069859.db2.gz YOMXIIJFKUXHGK-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046632872 692242828 /nfs/dbraw/zinc/24/28/28/692242828.db2.gz KFBODWYLVKZRLC-RKVPGOIHSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046632872 692242832 /nfs/dbraw/zinc/24/28/32/692242832.db2.gz KFBODWYLVKZRLC-RKVPGOIHSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867819 693030276 /nfs/dbraw/zinc/03/02/76/693030276.db2.gz PRKIDJKEIMJUMS-IRXDYDNUSA-N 2 2 316.449 2.292 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867819 693030278 /nfs/dbraw/zinc/03/02/78/693030278.db2.gz PRKIDJKEIMJUMS-IRXDYDNUSA-N 2 2 316.449 2.292 20 30 DEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925794549 693343299 /nfs/dbraw/zinc/34/32/99/693343299.db2.gz VETLKOHFOMMVJT-FUHWJXTLSA-N 2 2 311.429 2.294 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112513 693692441 /nfs/dbraw/zinc/69/24/41/693692441.db2.gz NOHHSXXRECKODP-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112513 693692442 /nfs/dbraw/zinc/69/24/42/693692442.db2.gz NOHHSXXRECKODP-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001371071358 1155682736 /nfs/dbraw/zinc/68/27/36/1155682736.db2.gz LPVNHYZNPGVSJA-UHFFFAOYSA-N 2 2 324.856 2.122 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001375177303 1158370283 /nfs/dbraw/zinc/37/02/83/1158370283.db2.gz NYVBQUOKASZROU-HIFRSBDPSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001375177303 1158370291 /nfs/dbraw/zinc/37/02/91/1158370291.db2.gz NYVBQUOKASZROU-HIFRSBDPSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001377199986 1160029760 /nfs/dbraw/zinc/02/97/60/1160029760.db2.gz RXDNDEQRWXAYOV-UHFFFAOYSA-N 2 2 323.868 2.205 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001377199986 1160029767 /nfs/dbraw/zinc/02/97/67/1160029767.db2.gz RXDNDEQRWXAYOV-UHFFFAOYSA-N 2 2 323.868 2.205 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001399636708 1161491657 /nfs/dbraw/zinc/49/16/57/1161491657.db2.gz BYLUXTFRCWNMCG-INIZCTEOSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001399636708 1161491664 /nfs/dbraw/zinc/49/16/64/1161491664.db2.gz BYLUXTFRCWNMCG-INIZCTEOSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001399636708 1161491669 /nfs/dbraw/zinc/49/16/69/1161491669.db2.gz BYLUXTFRCWNMCG-INIZCTEOSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001399636708 1161491673 /nfs/dbraw/zinc/49/16/73/1161491673.db2.gz BYLUXTFRCWNMCG-INIZCTEOSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001401066564 1161866142 /nfs/dbraw/zinc/86/61/42/1161866142.db2.gz ZKCKZMYKGILFMF-UBHSHLNASA-N 2 2 324.856 2.358 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001401066564 1161866143 /nfs/dbraw/zinc/86/61/43/1161866143.db2.gz ZKCKZMYKGILFMF-UBHSHLNASA-N 2 2 324.856 2.358 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001441913370 1182247461 /nfs/dbraw/zinc/24/74/61/1182247461.db2.gz XYHBKDWRDNSOSX-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001441913370 1182247464 /nfs/dbraw/zinc/24/74/64/1182247464.db2.gz XYHBKDWRDNSOSX-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001441913370 1182247470 /nfs/dbraw/zinc/24/74/70/1182247470.db2.gz XYHBKDWRDNSOSX-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001441913370 1182247477 /nfs/dbraw/zinc/24/74/77/1182247477.db2.gz XYHBKDWRDNSOSX-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001444076263 1183279194 /nfs/dbraw/zinc/27/91/94/1183279194.db2.gz QXWAMSKRSHAYON-UHFFFAOYSA-N 2 2 324.856 2.124 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC001444089686 1183283389 /nfs/dbraw/zinc/28/33/89/1183283389.db2.gz QCMPCGYXZUGASY-UHFFFAOYSA-N 2 2 324.856 2.124 20 30 DEEDLP C=C(CCC(=O)OC)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818965 790479288 /nfs/dbraw/zinc/47/92/88/790479288.db2.gz OSBFJSKUAPGOHU-UHFFFAOYSA-N 2 2 314.345 2.024 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321753 777785783 /nfs/dbraw/zinc/78/57/83/777785783.db2.gz YCZJNSTVEXTUBB-PVAVHDDUSA-N 2 2 316.449 2.064 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321753 777785790 /nfs/dbraw/zinc/78/57/90/777785790.db2.gz YCZJNSTVEXTUBB-PVAVHDDUSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738219 778055860 /nfs/dbraw/zinc/05/58/60/778055860.db2.gz LPXVUUJMAYLGEO-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001088418615 780096728 /nfs/dbraw/zinc/09/67/28/780096728.db2.gz UMWKFZGWDBVWBS-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085327369 783640856 /nfs/dbraw/zinc/64/08/56/783640856.db2.gz KLCOMWUOQRZPPK-RRFJBIMHSA-N 2 2 316.449 2.423 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C 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HWRYZTSVSDJJBD-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751083 797840379 /nfs/dbraw/zinc/84/03/79/797840379.db2.gz HWRYZTSVSDJJBD-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751083 797840385 /nfs/dbraw/zinc/84/03/85/797840385.db2.gz HWRYZTSVSDJJBD-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090137 798340476 /nfs/dbraw/zinc/34/04/76/798340476.db2.gz KGMNYQFBVJDTDY-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090137 798340479 /nfs/dbraw/zinc/34/04/79/798340479.db2.gz KGMNYQFBVJDTDY-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090137 798340483 /nfs/dbraw/zinc/34/04/83/798340483.db2.gz KGMNYQFBVJDTDY-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090137 798340487 /nfs/dbraw/zinc/34/04/87/798340487.db2.gz KGMNYQFBVJDTDY-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336672 798830780 /nfs/dbraw/zinc/83/07/80/798830780.db2.gz WWQPBJZQGYBORD-UHFFFAOYSA-N 2 2 302.422 2.057 20 30 DEEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336672 798830783 /nfs/dbraw/zinc/83/07/83/798830783.db2.gz WWQPBJZQGYBORD-UHFFFAOYSA-N 2 2 302.422 2.057 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202448299 798893562 /nfs/dbraw/zinc/89/35/62/798893562.db2.gz VFFIPIRCTIWENB-OAHLLOKOSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718428 799765699 /nfs/dbraw/zinc/76/56/99/799765699.db2.gz KGJSHFVRZJBECW-UHFFFAOYSA-N 2 2 318.465 2.379 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203243260 800023800 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1144732576 /nfs/dbraw/zinc/73/25/76/1144732576.db2.gz XTJTWBIJBZLSBK-DLBZAZTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001265736110 1144736043 /nfs/dbraw/zinc/73/60/43/1144736043.db2.gz HXCMLAIKRKXLQA-FHERZECASA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCCC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001266187679 1144812554 /nfs/dbraw/zinc/81/25/54/1144812554.db2.gz XNEQWARAIUIBQQ-UHFFFAOYSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281557237 1144897031 /nfs/dbraw/zinc/89/70/31/1144897031.db2.gz ODUDKQRPFPUSBA-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281557237 1144897032 /nfs/dbraw/zinc/89/70/32/1144897032.db2.gz ODUDKQRPFPUSBA-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281557237 1144897033 /nfs/dbraw/zinc/89/70/33/1144897033.db2.gz ODUDKQRPFPUSBA-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281557237 1144897034 /nfs/dbraw/zinc/89/70/34/1144897034.db2.gz ODUDKQRPFPUSBA-HNNXBMFYSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@H](CCN(C)C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001282569306 1145088640 /nfs/dbraw/zinc/08/86/40/1145088640.db2.gz SKDSESPLTKMMLB-MRXNPFEDSA-N 2 2 306.454 2.001 20 30 DEEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(C)C ZINC001282569847 1145089393 /nfs/dbraw/zinc/08/93/93/1145089393.db2.gz WPZDNTLOKCRSRP-OAHLLOKOSA-N 2 2 318.465 2.173 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491959117 1147020748 /nfs/dbraw/zinc/02/07/48/1147020748.db2.gz JFMDRULEARPMPM-JKSUJKDBSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491959117 1147020754 /nfs/dbraw/zinc/02/07/54/1147020754.db2.gz JFMDRULEARPMPM-JKSUJKDBSA-N 2 2 318.465 2.240 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001366204153 1147113334 /nfs/dbraw/zinc/11/33/34/1147113334.db2.gz AHDMLDSZYBXGQZ-HNNXBMFYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001366204153 1147113343 /nfs/dbraw/zinc/11/33/43/1147113343.db2.gz AHDMLDSZYBXGQZ-HNNXBMFYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001366204153 1147113351 /nfs/dbraw/zinc/11/33/51/1147113351.db2.gz AHDMLDSZYBXGQZ-HNNXBMFYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001366204153 1147113356 /nfs/dbraw/zinc/11/33/56/1147113356.db2.gz AHDMLDSZYBXGQZ-HNNXBMFYSA-N 2 2 315.889 2.442 20 30 DEEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317046169 1147652731 /nfs/dbraw/zinc/65/27/31/1147652731.db2.gz XWTGCOZWZZORMT-DLBZAZTESA-N 2 2 316.449 2.028 20 30 DEEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317046169 1147652734 /nfs/dbraw/zinc/65/27/34/1147652734.db2.gz XWTGCOZWZZORMT-DLBZAZTESA-N 2 2 316.449 2.028 20 30 DEEDLP C#CCC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317218014 1147678760 /nfs/dbraw/zinc/67/87/60/1147678760.db2.gz ZSHFTFDRPPMZHL-UHFFFAOYSA-N 2 2 310.401 2.217 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317792038 1147752765 /nfs/dbraw/zinc/75/27/65/1147752765.db2.gz HAQULMOKNXCRGU-OAHLLOKOSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317792038 1147752767 /nfs/dbraw/zinc/75/27/67/1147752767.db2.gz HAQULMOKNXCRGU-OAHLLOKOSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001327157309 1148338800 /nfs/dbraw/zinc/33/88/00/1148338800.db2.gz QEOWQQLLMWIROP-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001327157309 1148338807 /nfs/dbraw/zinc/33/88/07/1148338807.db2.gz QEOWQQLLMWIROP-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1C[C@@H]1C ZINC000083877287 355470896 /nfs/dbraw/zinc/47/08/96/355470896.db2.gz SENATRPRQHIAAC-SWLSCSKDSA-N 2 2 315.396 2.475 20 30 DEEDLP C=CCCC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000091580773 355601870 /nfs/dbraw/zinc/60/18/70/355601870.db2.gz QXDHDDGEVLZWPM-OAHLLOKOSA-N 2 2 303.454 2.409 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000590778916 357610413 /nfs/dbraw/zinc/61/04/13/357610413.db2.gz OLBQEINXVQJHER-IEBWSBKVSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000590778916 357610418 /nfs/dbraw/zinc/61/04/18/357610418.db2.gz OLBQEINXVQJHER-IEBWSBKVSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000591573372 357736724 /nfs/dbraw/zinc/73/67/24/357736724.db2.gz QBICSLQTHHXACH-JKSUJKDBSA-N 2 2 305.809 2.068 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C#N)c1ccccc1 ZINC000595391426 358438734 /nfs/dbraw/zinc/43/87/34/358438734.db2.gz KTHWXAYABIEOQM-SFHVURJKSA-N 2 2 300.450 2.209 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C#N)c1ccccc1 ZINC000595391426 358438737 /nfs/dbraw/zinc/43/87/37/358438737.db2.gz KTHWXAYABIEOQM-SFHVURJKSA-N 2 2 300.450 2.209 20 30 DEEDLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000602540116 360423581 /nfs/dbraw/zinc/42/35/81/360423581.db2.gz VXTNPERSTBSFGV-UHFFFAOYSA-N 2 2 305.397 2.022 20 30 DEEDLP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443966674 238132681 /nfs/dbraw/zinc/13/26/81/238132681.db2.gz LQAWULHJGVAAGR-IYBDPMFKSA-N 2 2 301.434 2.456 20 30 DEEDLP Cc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443966674 238132682 /nfs/dbraw/zinc/13/26/82/238132682.db2.gz LQAWULHJGVAAGR-IYBDPMFKSA-N 2 2 301.434 2.456 20 30 DEEDLP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610813022 361471271 /nfs/dbraw/zinc/47/12/71/361471271.db2.gz VMCWYTARNFVZLJ-LPHOPBHVSA-N 2 2 312.461 2.227 20 30 DEEDLP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000610813022 361471275 /nfs/dbraw/zinc/47/12/75/361471275.db2.gz VMCWYTARNFVZLJ-LPHOPBHVSA-N 2 2 312.461 2.227 20 30 DEEDLP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356114478 133066847 /nfs/dbraw/zinc/06/68/47/133066847.db2.gz RIZJBPMAYAXXGN-UHFFFAOYSA-N 2 2 322.478 2.338 20 30 DEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192021150 145069568 /nfs/dbraw/zinc/06/95/68/145069568.db2.gz MFKKGTVOGZSXRF-MRXNPFEDSA-N 2 2 317.408 2.242 20 30 DEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192021150 145069570 /nfs/dbraw/zinc/06/95/70/145069570.db2.gz MFKKGTVOGZSXRF-MRXNPFEDSA-N 2 2 317.408 2.242 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150752647 401994667 /nfs/dbraw/zinc/99/46/67/401994667.db2.gz RQZAIEKEHIHMPK-IAGOWNOFSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150752647 401994669 /nfs/dbraw/zinc/99/46/69/401994669.db2.gz RQZAIEKEHIHMPK-IAGOWNOFSA-N 2 2 307.482 2.217 20 30 DEEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000125233316 402220379 /nfs/dbraw/zinc/22/03/79/402220379.db2.gz JKJFMBMCOAQSPL-LJQANCHMSA-N 2 2 323.444 2.464 20 30 DEEDLP C=C(C)COc1cc(C[NH2+]CC[N@H+](CC)CCO)ccc1OC ZINC000274400579 403051757 /nfs/dbraw/zinc/05/17/57/403051757.db2.gz MOUDTZKQXKKFOU-UHFFFAOYSA-N 2 2 322.449 2.054 20 30 DEEDLP C=C(C)COc1cc(C[NH2+]CC[N@@H+](CC)CCO)ccc1OC ZINC000274400579 403051760 /nfs/dbraw/zinc/05/17/60/403051760.db2.gz MOUDTZKQXKKFOU-UHFFFAOYSA-N 2 2 322.449 2.054 20 30 DEEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000269723940 403160807 /nfs/dbraw/zinc/16/08/07/403160807.db2.gz VIPRLOHVJQORPP-UHFFFAOYSA-N 2 2 309.417 2.276 20 30 DEEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000294888575 403736503 /nfs/dbraw/zinc/73/65/03/403736503.db2.gz DUTFCZNDIJHUSI-ZYSHUDEJSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000294888575 403736508 /nfs/dbraw/zinc/73/65/08/403736508.db2.gz DUTFCZNDIJHUSI-ZYSHUDEJSA-N 2 2 313.445 2.078 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000344151985 403941607 /nfs/dbraw/zinc/94/16/07/403941607.db2.gz XTJZCMFELUDIBW-LJQANCHMSA-N 2 2 324.472 2.349 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000344151985 403941614 /nfs/dbraw/zinc/94/16/14/403941614.db2.gz XTJZCMFELUDIBW-LJQANCHMSA-N 2 2 324.472 2.349 20 30 DEEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344300614 404041579 /nfs/dbraw/zinc/04/15/79/404041579.db2.gz HEZFBZNHVFZIOZ-SFHVURJKSA-N 2 2 313.445 2.297 20 30 DEEDLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000337477819 404050596 /nfs/dbraw/zinc/05/05/96/404050596.db2.gz ZIUJIMAKFDEFGF-GOSISDBHSA-N 2 2 313.445 2.411 20 30 DEEDLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000337477819 404050598 /nfs/dbraw/zinc/05/05/98/404050598.db2.gz ZIUJIMAKFDEFGF-GOSISDBHSA-N 2 2 313.445 2.411 20 30 DEEDLP Cn1cc[nH+]c1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329382814 404320930 /nfs/dbraw/zinc/32/09/30/404320930.db2.gz OGMZDQBAVSZSOT-ZDUSSCGKSA-N 2 2 308.451 2.094 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819083 404602168 /nfs/dbraw/zinc/60/21/68/404602168.db2.gz UFSYZHLNBTXJSS-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819083 404602169 /nfs/dbraw/zinc/60/21/69/404602169.db2.gz UFSYZHLNBTXJSS-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360323743 404825399 /nfs/dbraw/zinc/82/53/99/404825399.db2.gz QJZSRYNEIIPVRB-INIZCTEOSA-N 2 2 307.482 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360323743 404825402 /nfs/dbraw/zinc/82/54/02/404825402.db2.gz QJZSRYNEIIPVRB-INIZCTEOSA-N 2 2 307.482 2.360 20 30 DEEDLP C=CCOc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000353913976 404971916 /nfs/dbraw/zinc/97/19/16/404971916.db2.gz JQEOCEDURYMUPN-UHFFFAOYSA-N 2 2 312.417 2.292 20 30 DEEDLP C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354043749 405017386 /nfs/dbraw/zinc/01/73/86/405017386.db2.gz ZRSMBISVFCTYIA-YOEHRIQHSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354043749 405017391 /nfs/dbraw/zinc/01/73/91/405017391.db2.gz ZRSMBISVFCTYIA-YOEHRIQHSA-N 2 2 318.490 2.078 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(CC#N)CC3)c2cc1C ZINC000567699943 406121762 /nfs/dbraw/zinc/12/17/62/406121762.db2.gz AFCZKPISJKPGIP-HNNXBMFYSA-N 2 2 312.417 2.298 20 30 DEEDLP O[C@]1(C[NH2+]CC#Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634698562 406231218 /nfs/dbraw/zinc/23/12/18/406231218.db2.gz PZLAPBBCXGPLAV-NRFANRHFSA-N 2 2 320.436 2.265 20 30 DEEDLP O[C@]1(C[NH2+]CC#Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698562 406231221 /nfs/dbraw/zinc/23/12/21/406231221.db2.gz PZLAPBBCXGPLAV-NRFANRHFSA-N 2 2 320.436 2.265 20 30 DEEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000491659151 406655358 /nfs/dbraw/zinc/65/53/58/406655358.db2.gz MNGAISZLSNQUMN-KRWDZBQOSA-N 2 2 314.408 2.193 20 30 DEEDLP C#CC[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000491659151 406655366 /nfs/dbraw/zinc/65/53/66/406655366.db2.gz MNGAISZLSNQUMN-KRWDZBQOSA-N 2 2 314.408 2.193 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000552281964 406699500 /nfs/dbraw/zinc/69/95/00/406699500.db2.gz QJFULFBDSIZSPX-QGZVFWFLSA-N 2 2 321.428 2.328 20 30 DEEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000644514891 407133723 /nfs/dbraw/zinc/13/37/23/407133723.db2.gz GFZJOISQLHVXFW-HXUWFJFHSA-N 2 2 308.425 2.121 20 30 DEEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000644514891 407133725 /nfs/dbraw/zinc/13/37/25/407133725.db2.gz GFZJOISQLHVXFW-HXUWFJFHSA-N 2 2 308.425 2.121 20 30 DEEDLP Cc1ncsc1CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267136668 225347244 /nfs/dbraw/zinc/34/72/44/225347244.db2.gz WWZCEODZPUNDBD-UHFFFAOYSA-N 2 2 318.446 2.393 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849664 649854133 /nfs/dbraw/zinc/85/41/33/649854133.db2.gz DUNFDNLRIKZNHI-RDJZCZTQSA-N 2 2 317.433 2.086 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849664 649854134 /nfs/dbraw/zinc/85/41/34/649854134.db2.gz DUNFDNLRIKZNHI-RDJZCZTQSA-N 2 2 317.433 2.086 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378313930 424906396 /nfs/dbraw/zinc/90/63/96/424906396.db2.gz HITFFJHNGHQLAM-QFBILLFUSA-N 2 2 312.461 2.016 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378313930 424906397 /nfs/dbraw/zinc/90/63/97/424906397.db2.gz HITFFJHNGHQLAM-QFBILLFUSA-N 2 2 312.461 2.016 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000651695021 425143623 /nfs/dbraw/zinc/14/36/23/425143623.db2.gz YSAMYSNVONZKAW-IKGGRYGDSA-N 2 2 307.482 2.264 20 30 DEEDLP 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2.388 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000778633351 642414130 /nfs/dbraw/zinc/41/41/30/642414130.db2.gz BTYNWALCZXUMKJ-IAGOWNOFSA-N 2 2 306.450 2.138 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000778633351 642414133 /nfs/dbraw/zinc/41/41/33/642414133.db2.gz BTYNWALCZXUMKJ-IAGOWNOFSA-N 2 2 306.450 2.138 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000780353759 642615359 /nfs/dbraw/zinc/61/53/59/642615359.db2.gz GZJMWTPNTOIMHJ-ZWKOTPCHSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000780353759 642615361 /nfs/dbraw/zinc/61/53/61/642615361.db2.gz GZJMWTPNTOIMHJ-ZWKOTPCHSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000780353759 642615362 /nfs/dbraw/zinc/61/53/62/642615362.db2.gz GZJMWTPNTOIMHJ-ZWKOTPCHSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)[NH+](C)CC 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VZMFTTHOYCQNKQ-SJLPKXTDSA-N 2 2 310.401 2.476 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823920167 648499603 /nfs/dbraw/zinc/49/96/03/648499603.db2.gz YXHVKQMKCYMPGK-ZDUSSCGKSA-N 2 2 312.421 2.168 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942532530 649238733 /nfs/dbraw/zinc/23/87/33/649238733.db2.gz NEQMUKDHLGLYLZ-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942532530 649238735 /nfs/dbraw/zinc/23/87/35/649238735.db2.gz NEQMUKDHLGLYLZ-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000392822218 685450791 /nfs/dbraw/zinc/45/07/91/685450791.db2.gz VCFDZDWNBRDAAP-UHFFFAOYSA-N 2 2 310.825 2.402 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000392822218 685450794 /nfs/dbraw/zinc/45/07/94/685450794.db2.gz VCFDZDWNBRDAAP-UHFFFAOYSA-N 2 2 310.825 2.402 20 30 DEEDLP CCC(CC)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000303778973 685234264 /nfs/dbraw/zinc/23/42/64/685234264.db2.gz KFICQNWCHOBKRA-NVXWUHKLSA-N 2 2 324.513 2.170 20 30 DEEDLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280165 687519705 /nfs/dbraw/zinc/51/97/05/687519705.db2.gz OOPBOPHHPRTHDN-HIFRSBDPSA-N 2 2 305.422 2.271 20 30 DEEDLP C[NH2+]CCC1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866661201 687644065 /nfs/dbraw/zinc/64/40/65/687644065.db2.gz PZPQTISZXQLPSX-KRWDZBQOSA-N 2 2 315.417 2.094 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532353 689533408 /nfs/dbraw/zinc/53/34/08/689533408.db2.gz CKXHCAKGZBQCFF-OAHLLOKOSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532353 689533409 /nfs/dbraw/zinc/53/34/09/689533409.db2.gz CKXHCAKGZBQCFF-OAHLLOKOSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001036268061 690305574 /nfs/dbraw/zinc/30/55/74/690305574.db2.gz QTEPILKBUDIWAP-KBPBESRZSA-N 2 2 304.438 2.090 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037828723 690619221 /nfs/dbraw/zinc/61/92/21/690619221.db2.gz QHYXPFRFVDLWKY-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001037884675 690632792 /nfs/dbraw/zinc/63/27/92/690632792.db2.gz PFCUNTSMTOZCOK-UKRRQHHQSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293012 691226756 /nfs/dbraw/zinc/22/67/56/691226756.db2.gz OTAOYXLIBWRHDG-LJQANCHMSA-N 2 2 324.428 2.448 20 30 DEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293012 691226759 /nfs/dbraw/zinc/22/67/59/691226759.db2.gz OTAOYXLIBWRHDG-LJQANCHMSA-N 2 2 324.428 2.448 20 30 DEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443616 691248180 /nfs/dbraw/zinc/24/81/80/691248180.db2.gz LGAFNWNASDYUOP-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443616 691248183 /nfs/dbraw/zinc/24/81/83/691248183.db2.gz LGAFNWNASDYUOP-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443616 691248185 /nfs/dbraw/zinc/24/81/85/691248185.db2.gz LGAFNWNASDYUOP-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443616 691248187 /nfs/dbraw/zinc/24/81/87/691248187.db2.gz LGAFNWNASDYUOP-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443612 691248455 /nfs/dbraw/zinc/24/84/55/691248455.db2.gz LGAFNWNASDYUOP-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443612 691248459 /nfs/dbraw/zinc/24/84/59/691248459.db2.gz LGAFNWNASDYUOP-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443612 691248463 /nfs/dbraw/zinc/24/84/63/691248463.db2.gz LGAFNWNASDYUOP-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443612 691248466 /nfs/dbraw/zinc/24/84/66/691248466.db2.gz LGAFNWNASDYUOP-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041246485 691352252 /nfs/dbraw/zinc/35/22/52/691352252.db2.gz YKJGYKKVYUSKFK-INIZCTEOSA-N 2 2 322.840 2.019 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041246485 691352254 /nfs/dbraw/zinc/35/22/54/691352254.db2.gz YKJGYKKVYUSKFK-INIZCTEOSA-N 2 2 322.840 2.019 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042088900 691504328 /nfs/dbraw/zinc/50/43/28/691504328.db2.gz BYKJGRZBZHWVRX-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042088900 691504331 /nfs/dbraw/zinc/50/43/31/691504331.db2.gz BYKJGRZBZHWVRX-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042088900 691504333 /nfs/dbraw/zinc/50/43/33/691504333.db2.gz BYKJGRZBZHWVRX-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042088900 691504336 /nfs/dbraw/zinc/50/43/36/691504336.db2.gz BYKJGRZBZHWVRX-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042175269 691529539 /nfs/dbraw/zinc/52/95/39/691529539.db2.gz AREZEJDUHYCNFY-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042175269 691529541 /nfs/dbraw/zinc/52/95/41/691529541.db2.gz AREZEJDUHYCNFY-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001044605202 691856767 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2.376 20 30 DEEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046738879 692279061 /nfs/dbraw/zinc/27/90/61/692279061.db2.gz DHZHKWYRYZYGJS-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552906 692920014 /nfs/dbraw/zinc/92/00/14/692920014.db2.gz QTLONVPJXVKYEA-ZWKOTPCHSA-N 2 2 322.412 2.265 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552906 692920016 /nfs/dbraw/zinc/92/00/16/692920016.db2.gz QTLONVPJXVKYEA-ZWKOTPCHSA-N 2 2 322.412 2.265 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553498 692920109 /nfs/dbraw/zinc/92/01/09/692920109.db2.gz VLRZHFODOOBKPR-ROUUACIJSA-N 2 2 322.412 2.265 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553498 692920112 /nfs/dbraw/zinc/92/01/12/692920112.db2.gz VLRZHFODOOBKPR-ROUUACIJSA-N 2 2 322.412 2.265 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049595378 692936002 /nfs/dbraw/zinc/93/60/02/692936002.db2.gz OQRFVITUJRQWRU-LSDHHAIUSA-N 2 2 322.840 2.009 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049595378 692936005 /nfs/dbraw/zinc/93/60/05/692936005.db2.gz OQRFVITUJRQWRU-LSDHHAIUSA-N 2 2 322.840 2.009 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049908707 693044367 /nfs/dbraw/zinc/04/43/67/693044367.db2.gz ZPNCJTKSBBKZHC-LSDHHAIUSA-N 2 2 322.840 2.009 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049908707 693044372 /nfs/dbraw/zinc/04/43/72/693044372.db2.gz ZPNCJTKSBBKZHC-LSDHHAIUSA-N 2 2 322.840 2.009 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050552062 693205847 /nfs/dbraw/zinc/20/58/47/693205847.db2.gz FFHZMMQHZWTOOK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001050552062 693205849 /nfs/dbraw/zinc/20/58/49/693205849.db2.gz FFHZMMQHZWTOOK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053056864 693678405 /nfs/dbraw/zinc/67/84/05/693678405.db2.gz FPWYXCZMKMYDAS-IRXDYDNUSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053056864 693678408 /nfs/dbraw/zinc/67/84/08/693678408.db2.gz FPWYXCZMKMYDAS-IRXDYDNUSA-N 2 2 316.449 2.020 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001332259163 1149841177 /nfs/dbraw/zinc/84/11/77/1149841177.db2.gz DORDKKBWCKTLTN-WBVHZDCISA-N 2 2 324.428 2.154 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001392084424 1156864506 /nfs/dbraw/zinc/86/45/06/1156864506.db2.gz SWCGCEKYKPEURQ-GFCCVEGCSA-N 2 2 306.797 2.137 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001393400565 1157821153 /nfs/dbraw/zinc/82/11/53/1157821153.db2.gz QKPUGWGUMJZFFI-YPMHNXCESA-N 2 2 324.856 2.124 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001406641905 1164754356 /nfs/dbraw/zinc/75/43/56/1164754356.db2.gz ZDHSRQQFIPPYMH-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001406641905 1164754361 /nfs/dbraw/zinc/75/43/61/1164754361.db2.gz ZDHSRQQFIPPYMH-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001406641905 1164754367 /nfs/dbraw/zinc/75/43/67/1164754367.db2.gz ZDHSRQQFIPPYMH-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001406641905 1164754372 /nfs/dbraw/zinc/75/43/72/1164754372.db2.gz ZDHSRQQFIPPYMH-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001418169865 1167457705 /nfs/dbraw/zinc/45/77/05/1167457705.db2.gz DFLQQOJDGBMADY-GJZGRUSLSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001418169865 1167457717 /nfs/dbraw/zinc/45/77/17/1167457717.db2.gz DFLQQOJDGBMADY-GJZGRUSLSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419609071 1168669251 /nfs/dbraw/zinc/66/92/51/1168669251.db2.gz OJHOXTPFEDOQJZ-UKRRQHHQSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419609071 1168669260 /nfs/dbraw/zinc/66/92/60/1168669260.db2.gz OJHOXTPFEDOQJZ-UKRRQHHQSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001419609071 1168669274 /nfs/dbraw/zinc/66/92/74/1168669274.db2.gz OJHOXTPFEDOQJZ-UKRRQHHQSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001419609071 1168669287 /nfs/dbraw/zinc/66/92/87/1168669287.db2.gz OJHOXTPFEDOQJZ-UKRRQHHQSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001419973761 1169025627 /nfs/dbraw/zinc/02/56/27/1169025627.db2.gz LAONSBBJVPVWQI-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001419973761 1169025641 /nfs/dbraw/zinc/02/56/41/1169025641.db2.gz LAONSBBJVPVWQI-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001419973761 1169025651 /nfs/dbraw/zinc/02/56/51/1169025651.db2.gz LAONSBBJVPVWQI-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001419973761 1169025662 /nfs/dbraw/zinc/02/56/62/1169025662.db2.gz LAONSBBJVPVWQI-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001421248154 1171634783 /nfs/dbraw/zinc/63/47/83/1171634783.db2.gz MFSPPQZAMCAMFG-WBMJQRKESA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001421248154 1171634790 /nfs/dbraw/zinc/63/47/90/1171634790.db2.gz MFSPPQZAMCAMFG-WBMJQRKESA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001437318067 1179716724 /nfs/dbraw/zinc/71/67/24/1179716724.db2.gz BLQCWISPFUABMQ-HUUCEWRRSA-N 2 2 324.856 2.433 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001442458506 1182483842 /nfs/dbraw/zinc/48/38/42/1182483842.db2.gz CLHRHBSCJJXGTG-UHFFFAOYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001442458506 1182483845 /nfs/dbraw/zinc/48/38/45/1182483845.db2.gz CLHRHBSCJJXGTG-UHFFFAOYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001442458506 1182483847 /nfs/dbraw/zinc/48/38/47/1182483847.db2.gz CLHRHBSCJJXGTG-UHFFFAOYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001442458506 1182483852 /nfs/dbraw/zinc/48/38/52/1182483852.db2.gz CLHRHBSCJJXGTG-UHFFFAOYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001445866777 1184101294 /nfs/dbraw/zinc/10/12/94/1184101294.db2.gz GVAPTYPCWUGAIK-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001445866777 1184101310 /nfs/dbraw/zinc/10/13/10/1184101310.db2.gz GVAPTYPCWUGAIK-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001448499534 1185259432 /nfs/dbraw/zinc/25/94/32/1185259432.db2.gz DGHVIATYXOQCGJ-AULYBMBSSA-N 2 2 318.808 2.413 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569213 783217775 /nfs/dbraw/zinc/21/77/75/783217775.db2.gz SXUSDWASVBLCNP-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569213 783217778 /nfs/dbraw/zinc/21/77/78/783217778.db2.gz SXUSDWASVBLCNP-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535946 779197912 /nfs/dbraw/zinc/19/79/12/779197912.db2.gz IPOZHKDKSZHSSW-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(=C)C)[C@@H]1CC ZINC001087607211 779376571 /nfs/dbraw/zinc/37/65/71/779376571.db2.gz RBRLYUQPTJEAOK-KSZLIROESA-N 2 2 317.477 2.019 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1CC ZINC001087607211 779376576 /nfs/dbraw/zinc/37/65/76/779376576.db2.gz RBRLYUQPTJEAOK-KSZLIROESA-N 2 2 317.477 2.019 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)[C@@H]1CC ZINC001087607211 779376583 /nfs/dbraw/zinc/37/65/83/779376583.db2.gz RBRLYUQPTJEAOK-KSZLIROESA-N 2 2 317.477 2.019 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(=C)C)[C@@H]1CC ZINC001087607211 779376590 /nfs/dbraw/zinc/37/65/90/779376590.db2.gz RBRLYUQPTJEAOK-KSZLIROESA-N 2 2 317.477 2.019 20 30 DEEDLP C=CCCC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363775 781040021 /nfs/dbraw/zinc/04/00/21/781040021.db2.gz VBJDHZCWSQROBA-UHFFFAOYSA-N 2 2 314.433 2.247 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168399382 781796464 /nfs/dbraw/zinc/79/64/64/781796464.db2.gz ZYLOADKDJLVBPT-INIZCTEOSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168399382 781796474 /nfs/dbraw/zinc/79/64/74/781796474.db2.gz ZYLOADKDJLVBPT-INIZCTEOSA-N 2 2 321.465 2.237 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966100834 783562035 /nfs/dbraw/zinc/56/20/35/783562035.db2.gz HOTKZVMIRNASDG-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966100834 783562037 /nfs/dbraw/zinc/56/20/37/783562037.db2.gz HOTKZVMIRNASDG-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC ZINC000968893883 784641723 /nfs/dbraw/zinc/64/17/23/784641723.db2.gz SUDQEEQMMQSBKB-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC ZINC000968893883 784641728 /nfs/dbraw/zinc/64/17/28/784641728.db2.gz SUDQEEQMMQSBKB-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC ZINC000968893883 784641731 /nfs/dbraw/zinc/64/17/31/784641731.db2.gz SUDQEEQMMQSBKB-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC ZINC000968893883 784641738 /nfs/dbraw/zinc/64/17/38/784641738.db2.gz SUDQEEQMMQSBKB-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968919947 784650201 /nfs/dbraw/zinc/65/02/01/784650201.db2.gz MHOOIESHDNKRJB-HNNXBMFYSA-N 2 2 310.401 2.171 20 30 DEEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968919947 784650204 /nfs/dbraw/zinc/65/02/04/784650204.db2.gz MHOOIESHDNKRJB-HNNXBMFYSA-N 2 2 310.401 2.171 20 30 DEEDLP C=CCCCCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808428 786232180 /nfs/dbraw/zinc/23/21/80/786232180.db2.gz CPAGXEJQCNLNMQ-UHFFFAOYSA-N 2 2 304.438 2.233 20 30 DEEDLP C=C(C)CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724009 786779232 /nfs/dbraw/zinc/77/92/32/786779232.db2.gz BSTMYNXHJOVGRL-UHFFFAOYSA-N 2 2 315.461 2.229 20 30 DEEDLP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724009 786779242 /nfs/dbraw/zinc/77/92/42/786779242.db2.gz BSTMYNXHJOVGRL-UHFFFAOYSA-N 2 2 315.461 2.229 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132521256 788117045 /nfs/dbraw/zinc/11/70/45/788117045.db2.gz AKNXIQAQYZRDPN-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132521256 788117048 /nfs/dbraw/zinc/11/70/48/788117048.db2.gz AKNXIQAQYZRDPN-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521256 788117057 /nfs/dbraw/zinc/11/70/57/788117057.db2.gz AKNXIQAQYZRDPN-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521256 788117060 /nfs/dbraw/zinc/11/70/60/788117060.db2.gz AKNXIQAQYZRDPN-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982192 788246964 /nfs/dbraw/zinc/24/69/64/788246964.db2.gz MTQNDNYQTSIRAY-GJZGRUSLSA-N 2 2 312.417 2.208 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132997108 788251811 /nfs/dbraw/zinc/25/18/11/788251811.db2.gz GHKIMJDHPXGAQP-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC001170889441 789637951 /nfs/dbraw/zinc/63/79/51/789637951.db2.gz CIHIYECVWORKCT-GYZKWEOXSA-N 2 2 310.467 2.420 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707147 791346299 /nfs/dbraw/zinc/34/62/99/791346299.db2.gz NQIZYZKGSZOOBI-ZIAGYGMSSA-N 2 2 312.845 2.289 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785536 791883135 /nfs/dbraw/zinc/88/31/35/791883135.db2.gz HDIBRYJDMYBHKR-KDOFPFPSSA-N 2 2 310.401 2.143 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785536 791883139 /nfs/dbraw/zinc/88/31/39/791883139.db2.gz HDIBRYJDMYBHKR-KDOFPFPSSA-N 2 2 310.401 2.143 20 30 DEEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325334 792170459 /nfs/dbraw/zinc/17/04/59/792170459.db2.gz UBXCCJVGURHHPX-HNNXBMFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325334 792170469 /nfs/dbraw/zinc/17/04/69/792170469.db2.gz UBXCCJVGURHHPX-HNNXBMFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357973 792182120 /nfs/dbraw/zinc/18/21/20/792182120.db2.gz CZDTXYDWKNNLII-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357973 792182124 /nfs/dbraw/zinc/18/21/24/792182124.db2.gz CZDTXYDWKNNLII-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942870 793268743 /nfs/dbraw/zinc/26/87/43/793268743.db2.gz TZNHTMLAULERJG-MRXNPFEDSA-N 2 2 324.428 2.384 20 30 DEEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068142 793315026 /nfs/dbraw/zinc/31/50/26/793315026.db2.gz HTSQIDVXTLTWRV-NMLBUPMWSA-N 2 2 324.472 2.369 20 30 DEEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068142 793315038 /nfs/dbraw/zinc/31/50/38/793315038.db2.gz HTSQIDVXTLTWRV-NMLBUPMWSA-N 2 2 324.472 2.369 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413972 793608305 /nfs/dbraw/zinc/60/83/05/793608305.db2.gz YFEKCJNUGQJWGK-BZUAXINKSA-N 2 2 304.438 2.094 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413972 793608311 /nfs/dbraw/zinc/60/83/11/793608311.db2.gz YFEKCJNUGQJWGK-BZUAXINKSA-N 2 2 304.438 2.094 20 30 DEEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103252252 794003309 /nfs/dbraw/zinc/00/33/09/794003309.db2.gz CDWRHAYKRUIUHV-RHSMWYFYSA-N 2 2 313.445 2.328 20 30 DEEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103252252 794003312 /nfs/dbraw/zinc/00/33/12/794003312.db2.gz CDWRHAYKRUIUHV-RHSMWYFYSA-N 2 2 313.445 2.328 20 30 DEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175210025 794158379 /nfs/dbraw/zinc/15/83/79/794158379.db2.gz OLSDCJUYDNYUNU-GJZGRUSLSA-N 2 2 316.449 2.118 20 30 DEEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195025 794418505 /nfs/dbraw/zinc/41/85/05/794418505.db2.gz MTOLKKHPMPZHSS-IKGGRYGDSA-N 2 2 316.449 2.351 20 30 DEEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195025 794418508 /nfs/dbraw/zinc/41/85/08/794418508.db2.gz MTOLKKHPMPZHSS-IKGGRYGDSA-N 2 2 316.449 2.351 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178535817 794942090 /nfs/dbraw/zinc/94/20/90/794942090.db2.gz LYHOYQBQZOTXRG-UHFFFAOYSA-N 2 2 318.465 2.214 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178871101 795016427 /nfs/dbraw/zinc/01/64/27/795016427.db2.gz INZZTHZUXXGZEV-MRXNPFEDSA-N 2 2 318.465 2.288 20 30 DEEDLP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001120239692 795426635 /nfs/dbraw/zinc/42/66/35/795426635.db2.gz BSABCFBCUGPXNC-UHFFFAOYSA-N 2 2 316.449 2.095 20 30 DEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181287224 795452295 /nfs/dbraw/zinc/45/22/95/795452295.db2.gz SPFILTSCQRESPV-CRAIPNDOSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849227 795694909 /nfs/dbraw/zinc/69/49/09/795694909.db2.gz XXMWTFJUXOGKAO-DPGVGJJJSA-N 2 2 302.422 2.037 20 30 DEEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001122130710 795729019 /nfs/dbraw/zinc/72/90/19/795729019.db2.gz NXNGBMYNEKPRQJ-DLBZAZTESA-N 2 2 312.417 2.424 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183495620 795881816 /nfs/dbraw/zinc/88/18/16/795881816.db2.gz BIBWTQZWYOXKLT-CVEARBPZSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850848 796129621 /nfs/dbraw/zinc/12/96/21/796129621.db2.gz HNVRUWLPZOYFRO-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905442 796150041 /nfs/dbraw/zinc/15/00/41/796150041.db2.gz VMFXFWXXDPEBNM-ZFWWWQNUSA-N 2 2 324.856 2.100 20 30 DEEDLP C#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)cc1OC ZINC001138348319 796203462 /nfs/dbraw/zinc/20/34/62/796203462.db2.gz QUSXDKICGGZXHV-IRXDYDNUSA-N 2 2 314.429 2.091 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202855462 796258054 /nfs/dbraw/zinc/25/80/54/796258054.db2.gz HOJXMMQVKUMQKC-QWHCGFSZSA-N 2 2 322.840 2.112 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202856932 796260854 /nfs/dbraw/zinc/26/08/54/796260854.db2.gz NDERYCQATLAMMO-LSDHHAIUSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899679 797094826 /nfs/dbraw/zinc/09/48/26/797094826.db2.gz LQQZOEZOMLNVFD-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899679 797094836 /nfs/dbraw/zinc/09/48/36/797094836.db2.gz LQQZOEZOMLNVFD-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191018901 797126100 /nfs/dbraw/zinc/12/61/00/797126100.db2.gz GJEPOPOXKYNTIB-CYBMUJFWSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191018901 797126104 /nfs/dbraw/zinc/12/61/04/797126104.db2.gz GJEPOPOXKYNTIB-CYBMUJFWSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018901 797126106 /nfs/dbraw/zinc/12/61/06/797126106.db2.gz GJEPOPOXKYNTIB-CYBMUJFWSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018901 797126109 /nfs/dbraw/zinc/12/61/09/797126109.db2.gz GJEPOPOXKYNTIB-CYBMUJFWSA-N 2 2 301.862 2.002 20 30 DEEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587744 797223648 /nfs/dbraw/zinc/22/36/48/797223648.db2.gz ZDVKCQKAHAYZTP-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587744 797223651 /nfs/dbraw/zinc/22/36/51/797223651.db2.gz ZDVKCQKAHAYZTP-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293293 797355423 /nfs/dbraw/zinc/35/54/23/797355423.db2.gz HMHOGTQXOUWBBZ-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293293 797355430 /nfs/dbraw/zinc/35/54/30/797355430.db2.gz HMHOGTQXOUWBBZ-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154093361 797462079 /nfs/dbraw/zinc/46/20/79/797462079.db2.gz XCUFURLOVSIPIH-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154093361 797462083 /nfs/dbraw/zinc/46/20/83/797462083.db2.gz XCUFURLOVSIPIH-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787323 797621187 /nfs/dbraw/zinc/62/11/87/797621187.db2.gz POYXFRIOUAJMMZ-RDJZCZTQSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787323 797621188 /nfs/dbraw/zinc/62/11/88/797621188.db2.gz POYXFRIOUAJMMZ-RDJZCZTQSA-N 2 2 318.465 2.240 20 30 DEEDLP Cc1c[nH+]c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c(/C=N/O)c1 ZINC001155384836 797744957 /nfs/dbraw/zinc/74/49/57/797744957.db2.gz RCJIDXXMMNHGOW-LKKXKRCMSA-N 2 2 318.421 2.159 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158238503 798365902 /nfs/dbraw/zinc/36/59/02/798365902.db2.gz VJHMMBYSAWQOGT-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158238503 798365906 /nfs/dbraw/zinc/36/59/06/798365906.db2.gz VJHMMBYSAWQOGT-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491633 798415979 /nfs/dbraw/zinc/41/59/79/798415979.db2.gz VCCGQDATGXJJEV-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491633 798415981 /nfs/dbraw/zinc/41/59/81/798415981.db2.gz VCCGQDATGXJJEV-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744116 798461638 /nfs/dbraw/zinc/46/16/38/798461638.db2.gz BQJXSBPGAXJIRF-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744116 798461640 /nfs/dbraw/zinc/46/16/40/798461640.db2.gz BQJXSBPGAXJIRF-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC001200127407 798591476 /nfs/dbraw/zinc/59/14/76/798591476.db2.gz UBMLAWKCKZLDMW-UHFFFAOYSA-N 2 2 311.429 2.279 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001159924330 798626836 /nfs/dbraw/zinc/62/68/36/798626836.db2.gz NUXDUGVTJBBNIR-AWEZNQCLSA-N 2 2 318.421 2.301 20 30 DEEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc3ccccc32)CC1 ZINC001160436882 798688308 /nfs/dbraw/zinc/68/83/08/798688308.db2.gz OCDCXHYABIWDKX-IBGZPJMESA-N 2 2 323.440 2.040 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323130 798827907 /nfs/dbraw/zinc/82/79/07/798827907.db2.gz CZOAFKHCVCVHJM-DZGCQCFKSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323130 798827910 /nfs/dbraw/zinc/82/79/10/798827910.db2.gz CZOAFKHCVCVHJM-DZGCQCFKSA-N 2 2 318.465 2.274 20 30 DEEDLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164661302 799639621 /nfs/dbraw/zinc/63/96/21/799639621.db2.gz LDNAYDHLOCHZPV-IAGOWNOFSA-N 2 2 313.449 2.320 20 30 DEEDLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164661302 799639623 /nfs/dbraw/zinc/63/96/23/799639623.db2.gz LDNAYDHLOCHZPV-IAGOWNOFSA-N 2 2 313.449 2.320 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3[nH]c(CC)[nH+]c3C)C2)C1=O ZINC001203237764 800024257 /nfs/dbraw/zinc/02/42/57/800024257.db2.gz GYBZNAZIVLFXIC-GOSISDBHSA-N 2 2 316.449 2.281 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@H+](Cc3[nH]c(CC)[nH+]c3C)C2)C1=O ZINC001203237764 800024266 /nfs/dbraw/zinc/02/42/66/800024266.db2.gz GYBZNAZIVLFXIC-GOSISDBHSA-N 2 2 316.449 2.281 20 30 DEEDLP C#CCC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205290910 800337452 /nfs/dbraw/zinc/33/74/52/800337452.db2.gz PNOBPAHBJCVCMY-UHFFFAOYSA-N 2 2 324.428 2.108 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533481 800549770 /nfs/dbraw/zinc/54/97/70/800549770.db2.gz LADUDWLGODJGHG-GFCCVEGCSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533481 800549774 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C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001569672578 1065663882 /nfs/dbraw/zinc/66/38/82/1065663882.db2.gz KROLAMLBEZBNBV-SJLPKXTDSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569687380 1065672293 /nfs/dbraw/zinc/67/22/93/1065672293.db2.gz SOFIEEAKXYSLJL-YJBOKZPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569687380 1065672299 /nfs/dbraw/zinc/67/22/99/1065672299.db2.gz SOFIEEAKXYSLJL-YJBOKZPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001570028346 1065890708 /nfs/dbraw/zinc/89/07/08/1065890708.db2.gz RSJDIOAOKYZCNM-UHFFFAOYSA-N 2 2 312.417 2.277 20 30 DEEDLP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001570028346 1065890718 /nfs/dbraw/zinc/89/07/18/1065890718.db2.gz RSJDIOAOKYZCNM-UHFFFAOYSA-N 2 2 312.417 2.277 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001498496033 1066745859 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2.472 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001667351455 1081241471 /nfs/dbraw/zinc/24/14/71/1081241471.db2.gz DCMHOUMMUWEFHX-IRXDYDNUSA-N 2 2 318.465 2.456 20 30 DEEDLP C#CC[NH2+]CC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC001269554150 1081288369 /nfs/dbraw/zinc/28/83/69/1081288369.db2.gz QIEMOMMNNHORDB-MRXNPFEDSA-N 2 2 316.449 2.122 20 30 DEEDLP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001269559210 1081290636 /nfs/dbraw/zinc/29/06/36/1081290636.db2.gz WBDKARDHTXAFGP-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001482247016 1081383015 /nfs/dbraw/zinc/38/30/15/1081383015.db2.gz WVWWWFVZSKJJRN-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001671648940 1081529410 /nfs/dbraw/zinc/52/94/10/1081529410.db2.gz MIJRVGVFEMCMJW-AEFFLSMTSA-N 2 2 316.449 2.074 20 30 DEEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001671648940 1081529411 /nfs/dbraw/zinc/52/94/11/1081529411.db2.gz MIJRVGVFEMCMJW-AEFFLSMTSA-N 2 2 316.449 2.074 20 30 DEEDLP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270974573 1081860569 /nfs/dbraw/zinc/86/05/69/1081860569.db2.gz RSLVGWXGKAAHEJ-SFHVURJKSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270974573 1081860576 /nfs/dbraw/zinc/86/05/76/1081860576.db2.gz RSLVGWXGKAAHEJ-SFHVURJKSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001482473718 1081952370 /nfs/dbraw/zinc/95/23/70/1081952370.db2.gz STUXULGTTJIIKY-GJZGRUSLSA-N 2 2 324.856 2.242 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271549293 1082078017 /nfs/dbraw/zinc/07/80/17/1082078017.db2.gz JACYASZFNBHFNZ-UKRRQHHQSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266565024 1082163209 /nfs/dbraw/zinc/16/32/09/1082163209.db2.gz JJVDVDIEGUUIAX-INIZCTEOSA-N 2 2 318.465 2.240 20 30 DEEDLP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266565024 1082163210 /nfs/dbraw/zinc/16/32/10/1082163210.db2.gz JJVDVDIEGUUIAX-INIZCTEOSA-N 2 2 318.465 2.240 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642967 1082431773 /nfs/dbraw/zinc/43/17/73/1082431773.db2.gz ZOJBDZVJZUIDNZ-LSDHHAIUSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642967 1082431775 /nfs/dbraw/zinc/43/17/75/1082431775.db2.gz ZOJBDZVJZUIDNZ-LSDHHAIUSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266889415 1082432994 /nfs/dbraw/zinc/43/29/94/1082432994.db2.gz DNCHRODCIJAQCD-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266889415 1082432999 /nfs/dbraw/zinc/43/29/99/1082432999.db2.gz DNCHRODCIJAQCD-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001490902121 1083875308 /nfs/dbraw/zinc/87/53/08/1083875308.db2.gz CFIMQLHDHCSIPX-BPUTZDHNSA-N 2 2 317.433 2.224 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490904333 1083884432 /nfs/dbraw/zinc/88/44/32/1083884432.db2.gz ADQZETIJZXCLDR-KLHDSHLOSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC001649106484 1084124022 /nfs/dbraw/zinc/12/40/22/1084124022.db2.gz IGOFQQZDFZGGEJ-UHFFFAOYSA-N 2 2 300.450 2.422 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCCC ZINC001491209889 1084156690 /nfs/dbraw/zinc/15/66/90/1084156690.db2.gz LISGJSHYKGQYDW-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCCC ZINC001491209889 1084156694 /nfs/dbraw/zinc/15/66/94/1084156694.db2.gz LISGJSHYKGQYDW-ROUUACIJSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCCC ZINC001491209889 1084156699 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MGGDWYGKHBASLJ-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235123431 1084319397 /nfs/dbraw/zinc/31/93/97/1084319397.db2.gz MGGDWYGKHBASLJ-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235123431 1084319408 /nfs/dbraw/zinc/31/94/08/1084319408.db2.gz MGGDWYGKHBASLJ-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235123431 1084319417 /nfs/dbraw/zinc/31/94/17/1084319417.db2.gz MGGDWYGKHBASLJ-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235610328 1084477769 /nfs/dbraw/zinc/47/77/69/1084477769.db2.gz FAURSNDTPHKVNC-QGZVFWFLSA-N 2 2 319.474 2.343 20 30 DEEDLP C=CC[NH2+]CC[N@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235610328 1084477774 /nfs/dbraw/zinc/47/77/74/1084477774.db2.gz FAURSNDTPHKVNC-QGZVFWFLSA-N 2 2 319.474 2.343 20 30 DEEDLP 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N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000590778917 357610750 /nfs/dbraw/zinc/61/07/50/357610750.db2.gz OLBQEINXVQJHER-MJGOQNOKSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000590778917 357610755 /nfs/dbraw/zinc/61/07/55/357610755.db2.gz OLBQEINXVQJHER-MJGOQNOKSA-N 2 2 313.445 2.372 20 30 DEEDLP Cn1cc(C[NH2+]CC[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180033435 199109701 /nfs/dbraw/zinc/10/97/01/199109701.db2.gz ZYABSMRNXCNVCX-UHFFFAOYSA-N 2 2 309.417 2.144 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000598594165 359254647 /nfs/dbraw/zinc/25/46/47/359254647.db2.gz YPGFPYGHVNUVEE-LSDHHAIUSA-N 2 2 302.422 2.116 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000598594165 359254653 /nfs/dbraw/zinc/25/46/53/359254653.db2.gz YPGFPYGHVNUVEE-LSDHHAIUSA-N 2 2 302.422 2.116 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609258295 361293324 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30 DEEDLP C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682361511 542287460 /nfs/dbraw/zinc/28/74/60/542287460.db2.gz ZVQHQUVOJMWTPJ-WMZOPIPTSA-N 2 2 307.482 2.216 20 30 DEEDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000305858530 145348624 /nfs/dbraw/zinc/34/86/24/145348624.db2.gz WUAXHFVHZQBIGF-RHSMWYFYSA-N 2 2 319.424 2.441 20 30 DEEDLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838467 147393238 /nfs/dbraw/zinc/39/32/38/147393238.db2.gz UQDMLBZSAOSZHR-GOSISDBHSA-N 2 2 301.434 2.494 20 30 DEEDLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838467 147393239 /nfs/dbraw/zinc/39/32/39/147393239.db2.gz UQDMLBZSAOSZHR-GOSISDBHSA-N 2 2 301.434 2.494 20 30 DEEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000114456965 401799925 /nfs/dbraw/zinc/79/99/25/401799925.db2.gz QXDKJWVWZHQLJX-UHFFFAOYSA-N 2 2 322.497 2.237 20 30 DEEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000114456965 401799928 /nfs/dbraw/zinc/79/99/28/401799928.db2.gz QXDKJWVWZHQLJX-UHFFFAOYSA-N 2 2 322.497 2.237 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000153188609 402131392 /nfs/dbraw/zinc/13/13/92/402131392.db2.gz AGEBJSCVKXMVGH-SJORKVTESA-N 2 2 316.445 2.318 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1F ZINC000177385924 402396823 /nfs/dbraw/zinc/39/68/23/402396823.db2.gz NFQKTEYXXANSGQ-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1F ZINC000177385924 402396824 /nfs/dbraw/zinc/39/68/24/402396824.db2.gz NFQKTEYXXANSGQ-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000177385924 402396825 /nfs/dbraw/zinc/39/68/25/402396825.db2.gz NFQKTEYXXANSGQ-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000177385924 402396827 /nfs/dbraw/zinc/39/68/27/402396827.db2.gz NFQKTEYXXANSGQ-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186229068 402413406 /nfs/dbraw/zinc/41/34/06/402413406.db2.gz DLBCCOHFSHTPPL-GOSISDBHSA-N 2 2 313.445 2.411 20 30 DEEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186229068 402413409 /nfs/dbraw/zinc/41/34/09/402413409.db2.gz DLBCCOHFSHTPPL-GOSISDBHSA-N 2 2 313.445 2.411 20 30 DEEDLP CN(C(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000277557025 403230699 /nfs/dbraw/zinc/23/06/99/403230699.db2.gz ZICCKENHHPNTFO-MRXNPFEDSA-N 2 2 318.490 2.013 20 30 DEEDLP CN(C(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000277557025 403230700 /nfs/dbraw/zinc/23/07/00/403230700.db2.gz ZICCKENHHPNTFO-MRXNPFEDSA-N 2 2 318.490 2.013 20 30 DEEDLP CCOC1CC(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)C1 ZINC000285032503 403277367 /nfs/dbraw/zinc/27/73/67/403277367.db2.gz FMEMCYUKZULXAX-UHFFFAOYSA-N 2 2 305.422 2.200 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344115043 403919675 /nfs/dbraw/zinc/91/96/75/403919675.db2.gz MBYAPOCKMFWUKR-IRXDYDNUSA-N 2 2 307.482 2.265 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344115043 403919678 /nfs/dbraw/zinc/91/96/78/403919678.db2.gz MBYAPOCKMFWUKR-IRXDYDNUSA-N 2 2 307.482 2.265 20 30 DEEDLP Cc1cccc(NCCNC(=O)C2([NH+]3CCOCC3)CCC2)[nH+]1 ZINC000329350745 404310739 /nfs/dbraw/zinc/31/07/39/404310739.db2.gz WXHVCODUIWGVJH-UHFFFAOYSA-N 2 2 318.421 2.013 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342143330 404398633 /nfs/dbraw/zinc/39/86/33/404398633.db2.gz SMMAAIFGGSMBKS-CYBMUJFWSA-N 2 2 307.463 2.122 20 30 DEEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330204613 404583954 /nfs/dbraw/zinc/58/39/54/404583954.db2.gz BUNHQXHOGCOGJU-HNNXBMFYSA-N 2 2 302.422 2.345 20 30 DEEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330204613 404583962 /nfs/dbraw/zinc/58/39/62/404583962.db2.gz BUNHQXHOGCOGJU-HNNXBMFYSA-N 2 2 302.422 2.345 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000374425869 404706579 /nfs/dbraw/zinc/70/65/79/404706579.db2.gz AEXARQPRWOGMLV-QRVBRYPASA-N 2 2 316.420 2.361 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000374425869 404706581 /nfs/dbraw/zinc/70/65/81/404706581.db2.gz AEXARQPRWOGMLV-QRVBRYPASA-N 2 2 316.420 2.361 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000365633783 404703999 /nfs/dbraw/zinc/70/39/99/404703999.db2.gz WMRLZTHJRIXXCV-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000365633783 404704000 /nfs/dbraw/zinc/70/40/00/404704000.db2.gz WMRLZTHJRIXXCV-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361084395 404910509 /nfs/dbraw/zinc/91/05/09/404910509.db2.gz AODXDSLHHBFCOE-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP COc1ccc(C[C@](C)([NH3+])CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425252588 405264219 /nfs/dbraw/zinc/26/42/19/405264219.db2.gz ZYQZSRUPHYIIFG-SFHVURJKSA-N 2 2 310.401 2.064 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638847132 405711379 /nfs/dbraw/zinc/71/13/79/405711379.db2.gz LTZGZPNOAYSSSU-SJLPKXTDSA-N 2 2 313.445 2.246 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638847132 405711381 /nfs/dbraw/zinc/71/13/81/405711381.db2.gz LTZGZPNOAYSSSU-SJLPKXTDSA-N 2 2 313.445 2.246 20 30 DEEDLP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423461909 405814155 /nfs/dbraw/zinc/81/41/55/405814155.db2.gz TXMNQMZRHFUJGM-OAHLLOKOSA-N 3 2 300.450 2.240 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849660 649854281 /nfs/dbraw/zinc/85/42/81/649854281.db2.gz DUNFDNLRIKZNHI-DOTOQJQBSA-N 2 2 317.433 2.086 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849660 649854282 /nfs/dbraw/zinc/85/42/82/649854282.db2.gz DUNFDNLRIKZNHI-DOTOQJQBSA-N 2 2 317.433 2.086 20 30 DEEDLP CC(C)C[NH+]1CCC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000329219750 278867411 /nfs/dbraw/zinc/86/74/11/278867411.db2.gz SRWOYTHYIQRBFI-MRXNPFEDSA-N 2 2 321.469 2.100 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001328288318 1148766998 /nfs/dbraw/zinc/76/69/98/1148766998.db2.gz ZEXHWDAFPZDJMB-HOTGVXAUSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001328288318 1148767006 /nfs/dbraw/zinc/76/70/06/1148767006.db2.gz ZEXHWDAFPZDJMB-HOTGVXAUSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001328295016 1148767483 /nfs/dbraw/zinc/76/74/83/1148767483.db2.gz RBNRFOLWQZZTHT-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001328295016 1148767491 /nfs/dbraw/zinc/76/74/91/1148767491.db2.gz RBNRFOLWQZZTHT-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001328295013 1148768209 /nfs/dbraw/zinc/76/82/09/1148768209.db2.gz RBNRFOLWQZZTHT-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001328295013 1148768214 /nfs/dbraw/zinc/76/82/14/1148768214.db2.gz RBNRFOLWQZZTHT-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000569902127 332690932 /nfs/dbraw/zinc/69/09/32/332690932.db2.gz PMSYEDQIBKZFPJ-UKRRQHHQSA-N 2 2 317.437 2.229 20 30 DEEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000181249716 337180625 /nfs/dbraw/zinc/18/06/25/337180625.db2.gz GGZVBRSDPLSALR-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000181249716 337180626 /nfs/dbraw/zinc/18/06/26/337180626.db2.gz GGZVBRSDPLSALR-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378398627 1152317059 /nfs/dbraw/zinc/31/70/59/1152317059.db2.gz KMDDMLURMILOMS-ZBEGNZNMSA-N 2 2 324.856 2.215 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001329940852 1149020877 /nfs/dbraw/zinc/02/08/77/1149020877.db2.gz ZUNRUNOMQLTIPQ-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001329940852 1149020882 /nfs/dbraw/zinc/02/08/82/1149020882.db2.gz ZUNRUNOMQLTIPQ-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C[NH+]=C(NCC(C)C)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262531112 526348918 /nfs/dbraw/zinc/34/89/18/526348918.db2.gz IIXCAJHOYBJFRI-CYBMUJFWSA-N 2 2 308.495 2.316 20 30 DEEDLP C[NH+]=C(NCC(C)C)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000262531112 526348923 /nfs/dbraw/zinc/34/89/23/526348923.db2.gz IIXCAJHOYBJFRI-CYBMUJFWSA-N 2 2 308.495 2.316 20 30 DEEDLP N#Cc1cccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156366759 526727829 /nfs/dbraw/zinc/72/78/29/526727829.db2.gz NLSBRIGVUKQRQO-GOSISDBHSA-N 2 2 309.369 2.485 20 30 DEEDLP N#Cc1cccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156366759 526727837 /nfs/dbraw/zinc/72/78/37/526727837.db2.gz NLSBRIGVUKQRQO-GOSISDBHSA-N 2 2 309.369 2.485 20 30 DEEDLP C=CCC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000376653076 527059432 /nfs/dbraw/zinc/05/94/32/527059432.db2.gz SHKHHNHMEPMWRD-HNNXBMFYSA-N 2 2 305.466 2.018 20 30 DEEDLP C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000376653076 527059437 /nfs/dbraw/zinc/05/94/37/527059437.db2.gz SHKHHNHMEPMWRD-HNNXBMFYSA-N 2 2 305.466 2.018 20 30 DEEDLP CC[NH+]=C(NC[C@H](C)SC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261980634 528812953 /nfs/dbraw/zinc/81/29/53/528812953.db2.gz OTVZCNARWKEBPI-KKUMJFAQSA-N 2 2 323.510 2.483 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001379654603 1152665687 /nfs/dbraw/zinc/66/56/87/1152665687.db2.gz JNAXSVVFQLPOQZ-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379654603 1152665688 /nfs/dbraw/zinc/66/56/88/1152665688.db2.gz JNAXSVVFQLPOQZ-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001379654603 1152665689 /nfs/dbraw/zinc/66/56/89/1152665689.db2.gz JNAXSVVFQLPOQZ-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001379654603 1152665690 /nfs/dbraw/zinc/66/56/90/1152665690.db2.gz JNAXSVVFQLPOQZ-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238728 625296950 /nfs/dbraw/zinc/29/69/50/625296950.db2.gz VLKDUMHNGVMBIR-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238728 625296951 /nfs/dbraw/zinc/29/69/51/625296951.db2.gz VLKDUMHNGVMBIR-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238728 625296952 /nfs/dbraw/zinc/29/69/52/625296952.db2.gz VLKDUMHNGVMBIR-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238728 625296955 /nfs/dbraw/zinc/29/69/55/625296955.db2.gz VLKDUMHNGVMBIR-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293815 625327982 /nfs/dbraw/zinc/32/79/82/625327982.db2.gz UTDYMGSKQMABPW-IAGOWNOFSA-N 2 2 316.449 2.292 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293815 625327985 /nfs/dbraw/zinc/32/79/85/625327985.db2.gz UTDYMGSKQMABPW-IAGOWNOFSA-N 2 2 316.449 2.292 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970065102 623088627 /nfs/dbraw/zinc/08/86/27/623088627.db2.gz QLXIBDSYTILXEX-LBPRGKRZSA-N 2 2 318.808 2.137 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540315 625158409 /nfs/dbraw/zinc/15/84/09/625158409.db2.gz RKVNWXIVISKBJF-LSDHHAIUSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540315 625158413 /nfs/dbraw/zinc/15/84/13/625158413.db2.gz RKVNWXIVISKBJF-LSDHHAIUSA-N 2 2 312.417 2.493 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998064383 634128778 /nfs/dbraw/zinc/12/87/78/634128778.db2.gz RXCOBTHRJZFVJS-MRXNPFEDSA-N 2 2 324.428 2.284 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027920362 634967068 /nfs/dbraw/zinc/96/70/68/634967068.db2.gz HYGWZTIPVJUREH-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027920362 634967072 /nfs/dbraw/zinc/96/70/72/634967072.db2.gz HYGWZTIPVJUREH-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027920362 634967080 /nfs/dbraw/zinc/96/70/80/634967080.db2.gz HYGWZTIPVJUREH-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825778 635672868 /nfs/dbraw/zinc/67/28/68/635672868.db2.gz NPOVBALBNKUGBK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825778 635672869 /nfs/dbraw/zinc/67/28/69/635672869.db2.gz NPOVBALBNKUGBK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825778 635672873 /nfs/dbraw/zinc/67/28/73/635672873.db2.gz NPOVBALBNKUGBK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825778 635672875 /nfs/dbraw/zinc/67/28/75/635672875.db2.gz NPOVBALBNKUGBK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981846751 635686697 /nfs/dbraw/zinc/68/66/97/635686697.db2.gz MRTUWRBBWYBEDF-UHFFFAOYSA-N 2 2 310.401 2.287 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000895163634 637703234 /nfs/dbraw/zinc/70/32/34/637703234.db2.gz WVKSLPJSTUFYJJ-PVAVHDDUSA-N 2 2 317.433 2.009 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000895163634 637703238 /nfs/dbraw/zinc/70/32/38/637703238.db2.gz WVKSLPJSTUFYJJ-PVAVHDDUSA-N 2 2 317.433 2.009 20 30 DEEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]NCC(F)F)CC1 ZINC000740617974 637881814 /nfs/dbraw/zinc/88/18/14/637881814.db2.gz GYADHZOUPBVLEJ-UHFFFAOYSA-N 2 2 316.783 2.280 20 30 DEEDLP C#CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC000897170980 639222781 /nfs/dbraw/zinc/22/27/81/639222781.db2.gz NJJMOPNOXQVWLV-UHFFFAOYSA-N 2 2 316.445 2.241 20 30 DEEDLP C#CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC000897170980 639222813 /nfs/dbraw/zinc/22/28/13/639222813.db2.gz NJJMOPNOXQVWLV-UHFFFAOYSA-N 2 2 316.445 2.241 20 30 DEEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000767352053 640968268 /nfs/dbraw/zinc/96/82/68/640968268.db2.gz NHHUXSIWYGLQOF-INIZCTEOSA-N 2 2 300.450 2.132 20 30 DEEDLP C[C@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000767352053 640968271 /nfs/dbraw/zinc/96/82/71/640968271.db2.gz NHHUXSIWYGLQOF-INIZCTEOSA-N 2 2 300.450 2.132 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000783292318 642993128 /nfs/dbraw/zinc/99/31/28/642993128.db2.gz AEIAYLXPEPLDDS-KXBFYZLASA-N 2 2 321.428 2.348 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000783292318 642993133 /nfs/dbraw/zinc/99/31/33/642993133.db2.gz AEIAYLXPEPLDDS-KXBFYZLASA-N 2 2 321.428 2.348 20 30 DEEDLP C[C@@]1(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CCC[NH2+]C1 ZINC000904384204 643656436 /nfs/dbraw/zinc/65/64/36/643656436.db2.gz GTORHVAFYSDNDB-GOSISDBHSA-N 2 2 316.424 2.209 20 30 DEEDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000796291900 644712916 /nfs/dbraw/zinc/71/29/16/644712916.db2.gz XEDCBDUQZSQMBS-UHFFFAOYSA-N 2 2 316.430 2.397 20 30 DEEDLP CC(C)(C)[NH+]=C(NCCn1cc[nH+]c1)NCc1cccs1 ZINC000912506038 646090081 /nfs/dbraw/zinc/09/00/81/646090081.db2.gz GHUDTUZPDRZHJM-UHFFFAOYSA-N 2 2 305.451 2.479 20 30 DEEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000809577054 646240119 /nfs/dbraw/zinc/24/01/19/646240119.db2.gz KJJNGRLTNWDZKW-KBAYOESNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000809577054 646240120 /nfs/dbraw/zinc/24/01/20/646240120.db2.gz KJJNGRLTNWDZKW-KBAYOESNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577054 646240123 /nfs/dbraw/zinc/24/01/23/646240123.db2.gz KJJNGRLTNWDZKW-KBAYOESNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577054 646240126 /nfs/dbraw/zinc/24/01/26/646240126.db2.gz KJJNGRLTNWDZKW-KBAYOESNSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C(=NN2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000814685754 646920941 /nfs/dbraw/zinc/92/09/41/646920941.db2.gz PAFCOVORRLMUNH-MRXNPFEDSA-N 2 2 300.450 2.274 20 30 DEEDLP C[C@@H]1C(=NN2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814685754 646920946 /nfs/dbraw/zinc/92/09/46/646920946.db2.gz PAFCOVORRLMUNH-MRXNPFEDSA-N 2 2 300.450 2.274 20 30 DEEDLP c1ccc(N2CCC(=NNCC[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000915974487 647823225 /nfs/dbraw/zinc/82/32/25/647823225.db2.gz LPFBIVYPACQQKW-UHFFFAOYSA-N 2 2 301.438 2.113 20 30 DEEDLP CCOc1cccc(/C=N\[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1O ZINC000849169865 651616298 /nfs/dbraw/zinc/61/62/98/651616298.db2.gz HODCFHJOTAOZIU-CCNLRRDASA-N 2 2 321.465 2.482 20 30 DEEDLP CCOc1cccc(/C=N\[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000849169865 651616299 /nfs/dbraw/zinc/61/62/99/651616299.db2.gz HODCFHJOTAOZIU-CCNLRRDASA-N 2 2 321.465 2.482 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392158625 1156878465 /nfs/dbraw/zinc/87/84/65/1156878465.db2.gz CJOBDHXDZWDRSJ-ZDUSSCGKSA-N 2 2 312.845 2.134 20 30 DEEDLP CCc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)cc1 ZINC000303774600 685234236 /nfs/dbraw/zinc/23/42/36/685234236.db2.gz GBTWAJQBVZPYTP-INIZCTEOSA-N 2 2 320.506 2.215 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001054797632 694046998 /nfs/dbraw/zinc/04/69/98/694046998.db2.gz JQFYKIQFSQKAAM-BONVTDFDSA-N 2 2 318.808 2.366 20 30 DEEDLP CC[NH2+]CC1CC[NH+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866662091 687643987 /nfs/dbraw/zinc/64/39/87/687643987.db2.gz WWPRXXJUAOJSQT-QGZVFWFLSA-N 2 2 315.417 2.094 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001017689034 687939530 /nfs/dbraw/zinc/93/95/30/687939530.db2.gz MHLGOXYCUXBKAH-IYBDPMFKSA-N 2 2 310.401 2.118 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001017689034 687939534 /nfs/dbraw/zinc/93/95/34/687939534.db2.gz MHLGOXYCUXBKAH-IYBDPMFKSA-N 2 2 310.401 2.118 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001018179162 688072274 /nfs/dbraw/zinc/07/22/74/688072274.db2.gz DESZEWDXOUILNO-GASCZTMLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320820 689461391 /nfs/dbraw/zinc/46/13/91/689461391.db2.gz XLFKCCVJZBVDSN-CQSZACIVSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320820 689461394 /nfs/dbraw/zinc/46/13/94/689461394.db2.gz XLFKCCVJZBVDSN-CQSZACIVSA-N 2 2 313.873 2.146 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874020 689646326 /nfs/dbraw/zinc/64/63/26/689646326.db2.gz UHVSGOOQENZHTR-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874020 689646328 /nfs/dbraw/zinc/64/63/28/689646328.db2.gz UHVSGOOQENZHTR-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208111 689763767 /nfs/dbraw/zinc/76/37/67/689763767.db2.gz VRRUXOALYFAONR-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208111 689763769 /nfs/dbraw/zinc/76/37/69/689763769.db2.gz VRRUXOALYFAONR-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391456 689831989 /nfs/dbraw/zinc/83/19/89/689831989.db2.gz MSTYGPLSLAPIHP-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391456 689831993 /nfs/dbraw/zinc/83/19/93/689831993.db2.gz MSTYGPLSLAPIHP-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397324 689836047 /nfs/dbraw/zinc/83/60/47/689836047.db2.gz KGZPVXCQKVCZPT-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397324 689836050 /nfs/dbraw/zinc/83/60/50/689836050.db2.gz KGZPVXCQKVCZPT-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397324 689836056 /nfs/dbraw/zinc/83/60/56/689836056.db2.gz KGZPVXCQKVCZPT-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397324 689836062 /nfs/dbraw/zinc/83/60/62/689836062.db2.gz KGZPVXCQKVCZPT-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702269 690440471 /nfs/dbraw/zinc/44/04/71/690440471.db2.gz KFCXSUWEGBMXPI-UONOGXRCSA-N 2 2 322.840 2.018 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702269 690440473 /nfs/dbraw/zinc/44/04/73/690440473.db2.gz KFCXSUWEGBMXPI-UONOGXRCSA-N 2 2 322.840 2.018 20 30 DEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037892462 690634378 /nfs/dbraw/zinc/63/43/78/690634378.db2.gz NOWOUGQYXNSOQE-IAGOWNOFSA-N 2 2 313.445 2.470 20 30 DEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137818 690815472 /nfs/dbraw/zinc/81/54/72/690815472.db2.gz KZMNMXAACOTSPO-SJORKVTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137818 690815477 /nfs/dbraw/zinc/81/54/77/690815477.db2.gz KZMNMXAACOTSPO-SJORKVTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137818 690815481 /nfs/dbraw/zinc/81/54/81/690815481.db2.gz KZMNMXAACOTSPO-SJORKVTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137818 690815487 /nfs/dbraw/zinc/81/54/87/690815487.db2.gz KZMNMXAACOTSPO-SJORKVTESA-N 2 2 312.417 2.055 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040318941 691230158 /nfs/dbraw/zinc/23/01/58/691230158.db2.gz ADSMZAUVKPAWSE-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040318941 691230160 /nfs/dbraw/zinc/23/01/60/691230160.db2.gz ADSMZAUVKPAWSE-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001040927347 691299300 /nfs/dbraw/zinc/29/93/00/691299300.db2.gz WOOQICLGZFFQIU-UHFFFAOYSA-N 2 2 316.449 2.151 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042334637 691573655 /nfs/dbraw/zinc/57/36/55/691573655.db2.gz HEGQDLKSGRMPDE-DOTOQJQBSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042334637 691573656 /nfs/dbraw/zinc/57/36/56/691573656.db2.gz HEGQDLKSGRMPDE-DOTOQJQBSA-N 2 2 316.449 2.150 20 30 DEEDLP CC#CC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439526 691981401 /nfs/dbraw/zinc/98/14/01/691981401.db2.gz OIKIDQIWUAYAQF-UHFFFAOYSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569273 692227284 /nfs/dbraw/zinc/22/72/84/692227284.db2.gz IQTPWQSFCBHQGH-DZKIICNBSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569273 692227285 /nfs/dbraw/zinc/22/72/85/692227285.db2.gz IQTPWQSFCBHQGH-DZKIICNBSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569273 692227290 /nfs/dbraw/zinc/22/72/90/692227290.db2.gz IQTPWQSFCBHQGH-DZKIICNBSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569273 692227295 /nfs/dbraw/zinc/22/72/95/692227295.db2.gz IQTPWQSFCBHQGH-DZKIICNBSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867820 693030264 /nfs/dbraw/zinc/03/02/64/693030264.db2.gz PRKIDJKEIMJUMS-SJORKVTESA-N 2 2 316.449 2.292 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867820 693030266 /nfs/dbraw/zinc/03/02/66/693030266.db2.gz PRKIDJKEIMJUMS-SJORKVTESA-N 2 2 316.449 2.292 20 30 DEEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001050503371 693196512 /nfs/dbraw/zinc/19/65/12/693196512.db2.gz XCVHAURCPMVIFJ-UHFFFAOYSA-N 2 2 322.840 2.019 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836884 693629367 /nfs/dbraw/zinc/62/93/67/693629367.db2.gz NJJTUBQXOJGVNZ-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836884 693629371 /nfs/dbraw/zinc/62/93/71/693629371.db2.gz NJJTUBQXOJGVNZ-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001332184442 1149831624 /nfs/dbraw/zinc/83/16/24/1149831624.db2.gz IPWNOHOQAPGIMD-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001332184442 1149831625 /nfs/dbraw/zinc/83/16/25/1149831625.db2.gz IPWNOHOQAPGIMD-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001332184442 1149831626 /nfs/dbraw/zinc/83/16/26/1149831626.db2.gz IPWNOHOQAPGIMD-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001332184442 1149831627 /nfs/dbraw/zinc/83/16/27/1149831627.db2.gz IPWNOHOQAPGIMD-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C#CC[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001332839751 1149898927 /nfs/dbraw/zinc/89/89/27/1149898927.db2.gz ZOGUTVVSCBHEOT-KRWDZBQOSA-N 2 2 324.428 2.240 20 30 DEEDLP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001363896853 1153701986 /nfs/dbraw/zinc/70/19/86/1153701986.db2.gz YNVWEYUUMMSSBZ-QGZVFWFLSA-N 2 2 301.434 2.398 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001375158939 1158361251 /nfs/dbraw/zinc/36/12/51/1158361251.db2.gz NDZMOJNHONBPBU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001375158939 1158361259 /nfs/dbraw/zinc/36/12/59/1158361259.db2.gz NDZMOJNHONBPBU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001377313089 1160193756 /nfs/dbraw/zinc/19/37/56/1160193756.db2.gz NFGPFVKDVHHNNU-UHFFFAOYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001377313089 1160193772 /nfs/dbraw/zinc/19/37/72/1160193772.db2.gz NFGPFVKDVHHNNU-UHFFFAOYSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001401346780 1161940705 /nfs/dbraw/zinc/94/07/05/1161940705.db2.gz SOOFPSLPSDEGGH-SMDDNHRTSA-N 2 2 312.845 2.071 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001403952672 1163326810 /nfs/dbraw/zinc/32/68/10/1163326810.db2.gz RZADZIICVFMNMI-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001403952672 1163326823 /nfs/dbraw/zinc/32/68/23/1163326823.db2.gz RZADZIICVFMNMI-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001403952672 1163326832 /nfs/dbraw/zinc/32/68/32/1163326832.db2.gz RZADZIICVFMNMI-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001403952672 1163326845 /nfs/dbraw/zinc/32/68/45/1163326845.db2.gz RZADZIICVFMNMI-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001404447866 1163647616 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DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001418549230 1167805038 /nfs/dbraw/zinc/80/50/38/1167805038.db2.gz ADVSEEIOHRKDMS-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001420744990 1171100575 /nfs/dbraw/zinc/10/05/75/1171100575.db2.gz GRARUKAUKAXHKZ-AWEZNQCLSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001440997436 1181819899 /nfs/dbraw/zinc/81/98/99/1181819899.db2.gz NYYIKNVNLIBLBC-HUUCEWRRSA-N 2 2 324.856 2.385 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001444776694 1183550136 /nfs/dbraw/zinc/55/01/36/1183550136.db2.gz CXOMLUJMMNXQKG-OAHLLOKOSA-N 2 2 324.856 2.290 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001448321037 1185161526 /nfs/dbraw/zinc/16/15/26/1185161526.db2.gz QJZYFCDSQXNHLO-CYBMUJFWSA-N 2 2 315.889 2.153 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001448321037 1185161527 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20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947442218 783137553 /nfs/dbraw/zinc/13/75/53/783137553.db2.gz RHLAEIFWMUPRHD-GOEBONIOSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538776 783193708 /nfs/dbraw/zinc/19/37/08/783193708.db2.gz FXGVWFKTWFMRNL-HNNXBMFYSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538776 783193713 /nfs/dbraw/zinc/19/37/13/783193713.db2.gz FXGVWFKTWFMRNL-HNNXBMFYSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099358104 783223615 /nfs/dbraw/zinc/22/36/15/783223615.db2.gz DNQJLAJFHUQQSQ-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099358104 783223620 /nfs/dbraw/zinc/22/36/20/783223620.db2.gz DNQJLAJFHUQQSQ-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167736544 778230892 /nfs/dbraw/zinc/23/08/92/778230892.db2.gz DNMKWSPLSZTLCX-OAHLLOKOSA-N 2 2 318.465 2.193 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087609920 779376097 /nfs/dbraw/zinc/37/60/97/779376097.db2.gz JGZYQFAMUTUFKV-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087609920 779376104 /nfs/dbraw/zinc/37/61/04/779376104.db2.gz JGZYQFAMUTUFKV-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087609920 779376108 /nfs/dbraw/zinc/37/61/08/779376108.db2.gz JGZYQFAMUTUFKV-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087609920 779376114 /nfs/dbraw/zinc/37/61/14/779376114.db2.gz JGZYQFAMUTUFKV-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001088325272 779956793 /nfs/dbraw/zinc/95/67/93/779956793.db2.gz MKFYHTIISHMBFC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001088325272 779956794 /nfs/dbraw/zinc/95/67/94/779956794.db2.gz MKFYHTIISHMBFC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC001144159150 790782362 /nfs/dbraw/zinc/78/23/62/790782362.db2.gz ZLMFTLQSCABXPN-UHFFFAOYSA-N 2 2 307.401 2.396 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250089 783603906 /nfs/dbraw/zinc/60/39/06/783603906.db2.gz FAXKRCRIOXECNF-DJIMGWMZSA-N 2 2 316.449 2.039 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484060 787406166 /nfs/dbraw/zinc/40/61/66/787406166.db2.gz DEJHQEFWQIQTBZ-OAHLLOKOSA-N 2 2 306.454 2.122 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107078 787933967 /nfs/dbraw/zinc/93/39/67/787933967.db2.gz XNFSWJSSKFLVIC-KGLIPLIRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107078 787933974 /nfs/dbraw/zinc/93/39/74/787933974.db2.gz XNFSWJSSKFLVIC-KGLIPLIRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132107078 787933978 /nfs/dbraw/zinc/93/39/78/787933978.db2.gz XNFSWJSSKFLVIC-KGLIPLIRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133240991 788328376 /nfs/dbraw/zinc/32/83/76/788328376.db2.gz CWKQZIWKSBJHTJ-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC001137418105 788353460 /nfs/dbraw/zinc/35/34/60/788353460.db2.gz LWVQRZWFEFMVMF-UHFFFAOYSA-N 2 2 314.477 2.182 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133364018 788386189 /nfs/dbraw/zinc/38/61/89/788386189.db2.gz RFOIODDYYCEENN-IRXDYDNUSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133364203 788387110 /nfs/dbraw/zinc/38/71/10/788387110.db2.gz SURQHXNXXDVLAD-SJORKVTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729522 789051346 /nfs/dbraw/zinc/05/13/46/789051346.db2.gz JTPGOKMAEJEUGI-KBPBESRZSA-N 2 2 306.454 2.376 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965116 789148659 /nfs/dbraw/zinc/14/86/59/789148659.db2.gz USXUAXZXRRIASQ-UONOGXRCSA-N 2 2 300.406 2.397 20 30 DEEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841368 789521992 /nfs/dbraw/zinc/52/19/92/789521992.db2.gz ZOAOQEULTZOENL-CVEARBPZSA-N 2 2 324.428 2.382 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001074927481 791394864 /nfs/dbraw/zinc/39/48/64/791394864.db2.gz HGVIHGMRWJSJCQ-IHRRRGAJSA-N 2 2 310.829 2.166 20 30 DEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101592084 793255862 /nfs/dbraw/zinc/25/58/62/793255862.db2.gz LOVNUANSUWSAKU-UHFFFAOYSA-N 2 2 318.465 2.301 20 30 DEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172299933 793406610 /nfs/dbraw/zinc/40/66/10/793406610.db2.gz QGQOCAYBRUQPTP-QAPCUYQASA-N 2 2 313.445 2.332 20 30 DEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172299933 793406612 /nfs/dbraw/zinc/40/66/12/793406612.db2.gz QGQOCAYBRUQPTP-QAPCUYQASA-N 2 2 313.445 2.332 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360162 794189918 /nfs/dbraw/zinc/18/99/18/794189918.db2.gz ZINVGSYQMVGKHS-BZUAXINKSA-N 2 2 318.465 2.364 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826714 794491108 /nfs/dbraw/zinc/49/11/08/794491108.db2.gz WPIZCGZMCBFBLZ-WMZOPIPTSA-N 2 2 316.449 2.210 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826714 794491113 /nfs/dbraw/zinc/49/11/13/794491113.db2.gz WPIZCGZMCBFBLZ-WMZOPIPTSA-N 2 2 316.449 2.210 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116109 795809137 /nfs/dbraw/zinc/80/91/37/795809137.db2.gz NNNBOFHQMLFIPT-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116109 795809145 /nfs/dbraw/zinc/80/91/45/795809145.db2.gz NNNBOFHQMLFIPT-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184797359 796127663 /nfs/dbraw/zinc/12/76/63/796127663.db2.gz BNSOHGZBQQPPQP-HZPDHXFCSA-N 2 2 324.428 2.045 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185502344 796273808 /nfs/dbraw/zinc/27/38/08/796273808.db2.gz MANRMXBGFRGRDL-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP COCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001139527395 796390168 /nfs/dbraw/zinc/39/01/68/796390168.db2.gz GNSDUXHZWYGFAM-UHFFFAOYSA-N 2 2 305.397 2.240 20 30 DEEDLP COCC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001139527395 796390174 /nfs/dbraw/zinc/39/01/74/796390174.db2.gz GNSDUXHZWYGFAM-UHFFFAOYSA-N 2 2 305.397 2.240 20 30 DEEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819740 797085856 /nfs/dbraw/zinc/08/58/56/797085856.db2.gz ZZGADPDTHAAXNP-DLBZAZTESA-N 2 2 316.449 2.026 20 30 DEEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819740 797085862 /nfs/dbraw/zinc/08/58/62/797085862.db2.gz ZZGADPDTHAAXNP-DLBZAZTESA-N 2 2 316.449 2.026 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202209 797156537 /nfs/dbraw/zinc/15/65/37/797156537.db2.gz IWNXKIGRXUTVDQ-CQSZACIVSA-N 2 2 321.490 2.167 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202209 797156543 /nfs/dbraw/zinc/15/65/43/797156543.db2.gz IWNXKIGRXUTVDQ-CQSZACIVSA-N 2 2 321.490 2.167 20 30 DEEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362794 797329248 /nfs/dbraw/zinc/32/92/48/797329248.db2.gz XYHZBDLUVZHQBF-CQSZACIVSA-N 2 2 312.417 2.106 20 30 DEEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362794 797329253 /nfs/dbraw/zinc/32/92/53/797329253.db2.gz XYHZBDLUVZHQBF-CQSZACIVSA-N 2 2 312.417 2.106 20 30 DEEDLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156332670 797977362 /nfs/dbraw/zinc/97/73/62/797977362.db2.gz LDNAYDHLOCHZPV-DLBZAZTESA-N 2 2 313.449 2.320 20 30 DEEDLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]C[C@@H]2C#N)nc1 ZINC001156332670 797977367 /nfs/dbraw/zinc/97/73/67/797977367.db2.gz LDNAYDHLOCHZPV-DLBZAZTESA-N 2 2 313.449 2.320 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001196085400 798005250 /nfs/dbraw/zinc/00/52/50/798005250.db2.gz KGCTZQDSHHOHTR-HNNXBMFYSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001196085400 798005256 /nfs/dbraw/zinc/00/52/56/798005256.db2.gz KGCTZQDSHHOHTR-HNNXBMFYSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001196085400 798005262 /nfs/dbraw/zinc/00/52/62/798005262.db2.gz KGCTZQDSHHOHTR-HNNXBMFYSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001196085400 798005270 /nfs/dbraw/zinc/00/52/70/798005270.db2.gz KGCTZQDSHHOHTR-HNNXBMFYSA-N 2 2 304.438 2.231 20 30 DEEDLP N#Cc1ccc(CCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001156838075 798092724 /nfs/dbraw/zinc/09/27/24/798092724.db2.gz USOIEEZHHWQPDO-UHFFFAOYSA-N 2 2 307.401 2.017 20 30 DEEDLP CC(C)c1ccc(C#N)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258863 798369134 /nfs/dbraw/zinc/36/91/34/798369134.db2.gz KKPKCDGQDOUTHV-HNNXBMFYSA-N 2 2 313.449 2.078 20 30 DEEDLP CC(C)c1ccc(C#N)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258863 798369138 /nfs/dbraw/zinc/36/91/38/798369138.db2.gz KKPKCDGQDOUTHV-HNNXBMFYSA-N 2 2 313.449 2.078 20 30 DEEDLP COCCC1([NH3+])CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001162041552 799000828 /nfs/dbraw/zinc/00/08/28/799000828.db2.gz LUZFBTAVFYDQBX-UHFFFAOYSA-N 2 2 310.401 2.441 20 30 DEEDLP N#CC1(c2cc[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2)CC1 ZINC001163276869 799295510 /nfs/dbraw/zinc/29/55/10/799295510.db2.gz BQXXGIGTIXJMQW-KDOFPFPSSA-N 2 2 312.417 2.207 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202699659 799364527 /nfs/dbraw/zinc/36/45/27/799364527.db2.gz NKGZAOJZHSMLKR-HNNXBMFYSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659844 800101653 /nfs/dbraw/zinc/10/16/53/800101653.db2.gz MKXNQYRWXHDQJH-CVEARBPZSA-N 2 2 316.449 2.244 20 30 DEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119080 800299431 /nfs/dbraw/zinc/29/94/31/800299431.db2.gz JXWGYCYCSZOXAZ-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252625 800940453 /nfs/dbraw/zinc/94/04/53/800940453.db2.gz PTGUDKIKRXMNSE-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252625 800940459 /nfs/dbraw/zinc/94/04/59/800940459.db2.gz PTGUDKIKRXMNSE-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 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CBRLVXNKTCTBJO-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001667458802 1081254000 /nfs/dbraw/zinc/25/40/00/1081254000.db2.gz OODADYFIWZSCNP-INIZCTEOSA-N 2 2 318.465 2.068 20 30 DEEDLP C=C(C)C[NH2+]CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001269888755 1081392302 /nfs/dbraw/zinc/39/23/02/1081392302.db2.gz DVJWHHXKOHBRPQ-UHFFFAOYSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001270050809 1081437961 /nfs/dbraw/zinc/43/79/61/1081437961.db2.gz PGSYRTCTGJAHQS-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951213318 1081492584 /nfs/dbraw/zinc/49/25/84/1081492584.db2.gz UQGTXPKAJDLAMO-INIZCTEOSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000951213318 1081492586 /nfs/dbraw/zinc/49/25/86/1081492586.db2.gz UQGTXPKAJDLAMO-INIZCTEOSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001670154072 1081499469 /nfs/dbraw/zinc/49/94/69/1081499469.db2.gz VEOZVNISCMBHRL-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[NH+]1CCC(C)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001671839387 1081542903 /nfs/dbraw/zinc/54/29/03/1081542903.db2.gz GSRVIMPSWLOQHY-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCC[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001671839387 1081542907 /nfs/dbraw/zinc/54/29/07/1081542907.db2.gz GSRVIMPSWLOQHY-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001482473712 1081952453 /nfs/dbraw/zinc/95/24/53/1081952453.db2.gz STUXULGTTJIIKY-CABCVRRESA-N 2 2 324.856 2.242 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001271419756 1082035571 /nfs/dbraw/zinc/03/55/71/1082035571.db2.gz ZQSGHUJKZNCIET-RHSMWYFYSA-N 2 2 313.445 2.470 20 30 DEEDLP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001482537925 1082185816 /nfs/dbraw/zinc/18/58/16/1082185816.db2.gz HZFZYARGOBDIMY-DOTOQJQBSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001670590205 1082190048 /nfs/dbraw/zinc/19/00/48/1082190048.db2.gz XNTGVKLUGGDORW-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001670657366 1082205260 /nfs/dbraw/zinc/20/52/60/1082205260.db2.gz WJLRJJZQBCSYTP-CVEARBPZSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001670657366 1082205263 /nfs/dbraw/zinc/20/52/63/1082205263.db2.gz WJLRJJZQBCSYTP-CVEARBPZSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001482665257 1082444934 /nfs/dbraw/zinc/44/49/34/1082444934.db2.gz BNUMHTAGTQHXQC-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001482665257 1082444938 /nfs/dbraw/zinc/44/49/38/1082444938.db2.gz BNUMHTAGTQHXQC-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001482696041 1082490573 /nfs/dbraw/zinc/49/05/73/1082490573.db2.gz USFKBAANVUKGOH-NVXWUHKLSA-N 2 2 318.465 2.193 20 30 DEEDLP N#Cc1ccnc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276686472 1083548292 /nfs/dbraw/zinc/54/82/92/1083548292.db2.gz DWWYAYPSLZCYES-UHFFFAOYSA-N 2 2 321.428 2.379 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001486206978 1085111183 /nfs/dbraw/zinc/11/11/83/1085111183.db2.gz JEDDKAKQBWECJG-HZPDHXFCSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001486439032 1085314575 /nfs/dbraw/zinc/31/45/75/1085314575.db2.gz JQAAGYZKNKXTOC-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283546 1085670332 /nfs/dbraw/zinc/67/03/32/1085670332.db2.gz DVVOHLBBUSZXIK-DLBZAZTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283546 1085670335 /nfs/dbraw/zinc/67/03/35/1085670335.db2.gz DVVOHLBBUSZXIK-DLBZAZTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614172 1090351173 /nfs/dbraw/zinc/35/11/73/1090351173.db2.gz IFWVZGODHODKJW-GDBMZVCRSA-N 2 2 317.433 2.064 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614172 1090351178 /nfs/dbraw/zinc/35/11/78/1090351178.db2.gz IFWVZGODHODKJW-GDBMZVCRSA-N 2 2 317.433 2.064 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001275122194 1091571660 /nfs/dbraw/zinc/57/16/60/1091571660.db2.gz XBZBRGXFDBSMEH-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001275122194 1091571666 /nfs/dbraw/zinc/57/16/66/1091571666.db2.gz XBZBRGXFDBSMEH-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001489000534 1092877716 /nfs/dbraw/zinc/87/77/16/1092877716.db2.gz FLIUSNBXKWRERP-DOTOQJQBSA-N 2 2 318.465 2.146 20 30 DEEDLP Cc1cc(N2CC[NH+](Cc3ccccc3CC#N)CC2)nc(C)[nH+]1 ZINC001235523388 1138331330 /nfs/dbraw/zinc/33/13/30/1138331330.db2.gz RBHXIZWKSHFUAA-UHFFFAOYSA-N 2 2 321.428 2.482 20 30 DEEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001318524184 1140357907 /nfs/dbraw/zinc/35/79/07/1140357907.db2.gz IJENIBXEZNKGEE-HNNXBMFYSA-N 2 2 300.406 2.317 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001278392630 1140507128 /nfs/dbraw/zinc/50/71/28/1140507128.db2.gz XCOXRMBTIPPOHW-HUUCEWRRSA-N 2 2 312.417 2.493 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001245993389 1140843013 /nfs/dbraw/zinc/84/30/13/1140843013.db2.gz JYBJFYBLLWSFFF-ZACQAIPSSA-N 2 2 300.487 2.191 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278432659 1140864822 /nfs/dbraw/zinc/86/48/22/1140864822.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278432659 1140864823 /nfs/dbraw/zinc/86/48/23/1140864823.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278432659 1140864824 /nfs/dbraw/zinc/86/48/24/1140864824.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278432659 1140864825 /nfs/dbraw/zinc/86/48/25/1140864825.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246722994 1141043856 /nfs/dbraw/zinc/04/38/56/1141043856.db2.gz PCTMADWYFLJRKP-WNRNVDISSA-N 2 2 308.466 2.201 20 30 DEEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246722994 1141043865 /nfs/dbraw/zinc/04/38/65/1141043865.db2.gz PCTMADWYFLJRKP-WNRNVDISSA-N 2 2 308.466 2.201 20 30 DEEDLP C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C(=O)OC)CC[NH2+][C@@H]4C3)C[C@H](C1)C2 ZINC001246990529 1141226838 /nfs/dbraw/zinc/22/68/38/1141226838.db2.gz UKWZZWNDSABXJB-XTMPTPMBSA-N 2 2 318.461 2.348 20 30 DEEDLP C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C(=O)OC)CC[NH2+][C@@H]4C3)C[C@H](C1)C2 ZINC001246990529 1141226875 /nfs/dbraw/zinc/22/68/75/1141226875.db2.gz UKWZZWNDSABXJB-XTMPTPMBSA-N 2 2 318.461 2.348 20 30 DEEDLP CSCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322445778 1141590900 /nfs/dbraw/zinc/59/09/00/1141590900.db2.gz MWHKOHILHUPQBZ-UHFFFAOYSA-N 2 2 311.426 2.291 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001278515189 1141876166 /nfs/dbraw/zinc/87/61/66/1141876166.db2.gz DNVMJPMIOCSQEX-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001278515189 1141876167 /nfs/dbraw/zinc/87/61/67/1141876167.db2.gz DNVMJPMIOCSQEX-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001278515186 1141876519 /nfs/dbraw/zinc/87/65/19/1141876519.db2.gz DNVMJPMIOCSQEX-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001278515186 1141876520 /nfs/dbraw/zinc/87/65/20/1141876520.db2.gz DNVMJPMIOCSQEX-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001249679232 1142006121 /nfs/dbraw/zinc/00/61/21/1142006121.db2.gz RLPBJZZEXFXIHX-UHFFFAOYSA-N 2 2 316.380 2.327 20 30 DEEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001278650775 1142660703 /nfs/dbraw/zinc/66/07/03/1142660703.db2.gz IYFYBJWXHSITJO-MRXNPFEDSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001252625660 1142798679 /nfs/dbraw/zinc/79/86/79/1142798679.db2.gz XSKVYHLDKYJUCA-FHWLQOOXSA-N 2 2 318.461 2.193 20 30 DEEDLP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001252625660 1142798694 /nfs/dbraw/zinc/79/86/94/1142798694.db2.gz XSKVYHLDKYJUCA-FHWLQOOXSA-N 2 2 318.461 2.193 20 30 DEEDLP CC(C)[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001253785513 1142932481 /nfs/dbraw/zinc/93/24/81/1142932481.db2.gz XMSQTBKITMZPIY-GOSISDBHSA-N 2 2 301.434 2.129 20 30 DEEDLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254677527 1143310362 /nfs/dbraw/zinc/31/03/62/1143310362.db2.gz USYGUKSVJNHOBI-BFYDXBDKSA-N 2 2 319.449 2.028 20 30 DEEDLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254677527 1143310370 /nfs/dbraw/zinc/31/03/70/1143310370.db2.gz USYGUKSVJNHOBI-BFYDXBDKSA-N 2 2 319.449 2.028 20 30 DEEDLP C#C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574267 1144320342 /nfs/dbraw/zinc/32/03/42/1144320342.db2.gz OHVMZXBWLPYZII-HKUYNNGSSA-N 2 2 300.446 2.261 20 30 DEEDLP C#C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574267 1144320345 /nfs/dbraw/zinc/32/03/45/1144320345.db2.gz OHVMZXBWLPYZII-HKUYNNGSSA-N 2 2 300.446 2.261 20 30 DEEDLP C=CCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001264677506 1144590072 /nfs/dbraw/zinc/59/00/72/1144590072.db2.gz CBRVXEGPGGUANH-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001264677506 1144590079 /nfs/dbraw/zinc/59/00/79/1144590079.db2.gz CBRVXEGPGGUANH-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001265095544 1144642801 /nfs/dbraw/zinc/64/28/01/1144642801.db2.gz XYZPYYMSYRELHM-SJORKVTESA-N 2 2 316.449 2.046 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001283051643 1145250612 /nfs/dbraw/zinc/25/06/12/1145250612.db2.gz CSYBFYSLPSICMW-KOMQPUFPSA-N 2 2 317.433 2.083 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284191742 1145815251 /nfs/dbraw/zinc/81/52/51/1145815251.db2.gz BMFMWAUEAOPMOG-HUUCEWRRSA-N 2 2 312.417 2.399 20 30 DEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001284699266 1145892047 /nfs/dbraw/zinc/89/20/47/1145892047.db2.gz CRVIEPACDYWXKE-LSDHHAIUSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCOCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107487 1147447666 /nfs/dbraw/zinc/44/76/66/1147447666.db2.gz SRNRWLIUYZBOLO-UHFFFAOYSA-N 2 2 318.461 2.414 20 30 DEEDLP C=CCOCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107487 1147447670 /nfs/dbraw/zinc/44/76/70/1147447670.db2.gz SRNRWLIUYZBOLO-UHFFFAOYSA-N 2 2 318.461 2.414 20 30 DEEDLP C=CCOCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107487 1147447675 /nfs/dbraw/zinc/44/76/75/1147447675.db2.gz SRNRWLIUYZBOLO-UHFFFAOYSA-N 2 2 318.461 2.414 20 30 DEEDLP C=CCOCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107487 1147447680 /nfs/dbraw/zinc/44/76/80/1147447680.db2.gz SRNRWLIUYZBOLO-UHFFFAOYSA-N 2 2 318.461 2.414 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001366663554 1147456209 /nfs/dbraw/zinc/45/62/09/1147456209.db2.gz ASWGTPGDXLXPBU-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001366663554 1147456220 /nfs/dbraw/zinc/45/62/20/1147456220.db2.gz ASWGTPGDXLXPBU-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001316831817 1147611004 /nfs/dbraw/zinc/61/10/04/1147611004.db2.gz IVIRRQJPPHOYQN-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001316831817 1147611005 /nfs/dbraw/zinc/61/10/05/1147611005.db2.gz IVIRRQJPPHOYQN-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317061451 1147654784 /nfs/dbraw/zinc/65/47/84/1147654784.db2.gz SCBQBQJVQYAENZ-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317687330 1147744561 /nfs/dbraw/zinc/74/45/61/1147744561.db2.gz SEWACOOMSCHEGW-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317687330 1147744563 /nfs/dbraw/zinc/74/45/63/1147744563.db2.gz SEWACOOMSCHEGW-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844834 1147757161 /nfs/dbraw/zinc/75/71/61/1147757161.db2.gz GAMCMPNWCKNASV-DLBZAZTESA-N 2 2 318.465 2.408 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844834 1147757163 /nfs/dbraw/zinc/75/71/63/1147757163.db2.gz GAMCMPNWCKNASV-DLBZAZTESA-N 2 2 318.465 2.408 20 30 DEEDLP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001317871049 1147759632 /nfs/dbraw/zinc/75/96/32/1147759632.db2.gz ZUYBQVAGIDMIEF-UHFFFAOYSA-N 2 2 318.465 2.479 20 30 DEEDLP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001317871049 1147759633 /nfs/dbraw/zinc/75/96/33/1147759633.db2.gz ZUYBQVAGIDMIEF-UHFFFAOYSA-N 2 2 318.465 2.479 20 30 DEEDLP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001317871049 1147759635 /nfs/dbraw/zinc/75/96/35/1147759635.db2.gz ZUYBQVAGIDMIEF-UHFFFAOYSA-N 2 2 318.465 2.479 20 30 DEEDLP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001317871049 1147759637 /nfs/dbraw/zinc/75/96/37/1147759637.db2.gz ZUYBQVAGIDMIEF-UHFFFAOYSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001325629344 1147969540 /nfs/dbraw/zinc/96/95/40/1147969540.db2.gz LKZDFWDZXWBZIN-NXOAAHMSSA-N 2 2 316.449 2.379 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001325629344 1147969546 /nfs/dbraw/zinc/96/95/46/1147969546.db2.gz LKZDFWDZXWBZIN-NXOAAHMSSA-N 2 2 316.449 2.379 20 30 DEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000595511281 358469761 /nfs/dbraw/zinc/46/97/61/358469761.db2.gz GQSHEWZNAIUGEW-UHFFFAOYSA-N 2 2 315.461 2.325 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725246 359306785 /nfs/dbraw/zinc/30/67/85/359306785.db2.gz WOPNKAHUWKPWLT-BPQIPLTHSA-N 2 2 315.461 2.397 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725246 359306791 /nfs/dbraw/zinc/30/67/91/359306791.db2.gz WOPNKAHUWKPWLT-BPQIPLTHSA-N 2 2 315.461 2.397 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@H](O)C3)CC2)cc1 ZINC000189279714 200374706 /nfs/dbraw/zinc/37/47/06/200374706.db2.gz YNIFWDYBXAFFDI-HKUYNNGSSA-N 2 2 313.445 2.273 20 30 DEEDLP C[C@@H](CCC#N)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000602533860 360421171 /nfs/dbraw/zinc/42/11/71/360421171.db2.gz PVTAFEMUKIUHQG-KRWDZBQOSA-N 3 2 315.465 2.123 20 30 DEEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000619700974 363859658 /nfs/dbraw/zinc/85/96/58/363859658.db2.gz SETHXFQYMMNQFY-HNNXBMFYSA-N 2 2 308.447 2.277 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)C3CCC3)CC2)cc1 ZINC000449740922 241010760 /nfs/dbraw/zinc/01/07/60/241010760.db2.gz RTCCSGGTCUOYBB-LJQANCHMSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157028449 197156109 /nfs/dbraw/zinc/15/61/09/197156109.db2.gz BGENUAYWSMPZJQ-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157028449 197156110 /nfs/dbraw/zinc/15/61/10/197156110.db2.gz BGENUAYWSMPZJQ-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157028449 197156112 /nfs/dbraw/zinc/15/61/12/197156112.db2.gz BGENUAYWSMPZJQ-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157028449 197156114 /nfs/dbraw/zinc/15/61/14/197156114.db2.gz BGENUAYWSMPZJQ-AEFFLSMTSA-N 2 2 315.461 2.274 20 30 DEEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156558115 197123267 /nfs/dbraw/zinc/12/32/67/197123267.db2.gz UYPRWXFTZAXLDT-PBHICJAKSA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156558115 197123268 /nfs/dbraw/zinc/12/32/68/197123268.db2.gz UYPRWXFTZAXLDT-PBHICJAKSA-N 2 2 323.400 2.276 20 30 DEEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454011 402461913 /nfs/dbraw/zinc/46/19/13/402461913.db2.gz RPBQDOOMPPYZBL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454011 402461915 /nfs/dbraw/zinc/46/19/15/402461915.db2.gz RPBQDOOMPPYZBL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454011 402461917 /nfs/dbraw/zinc/46/19/17/402461917.db2.gz RPBQDOOMPPYZBL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454011 402461919 /nfs/dbraw/zinc/46/19/19/402461919.db2.gz RPBQDOOMPPYZBL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000270646894 403208837 /nfs/dbraw/zinc/20/88/37/403208837.db2.gz KTOKZCPLLAMMED-UHFFFAOYSA-N 2 2 323.444 2.271 20 30 DEEDLP Cc1[nH+]ccn1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000270646894 403208838 /nfs/dbraw/zinc/20/88/38/403208838.db2.gz KTOKZCPLLAMMED-UHFFFAOYSA-N 2 2 323.444 2.271 20 30 DEEDLP Cc1[nH+]ccn1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000270646894 403208839 /nfs/dbraw/zinc/20/88/39/403208839.db2.gz KTOKZCPLLAMMED-UHFFFAOYSA-N 2 2 323.444 2.271 20 30 DEEDLP Cc1[nH+]ccn1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000270646894 403208840 /nfs/dbraw/zinc/20/88/40/403208840.db2.gz KTOKZCPLLAMMED-UHFFFAOYSA-N 2 2 323.444 2.271 20 30 DEEDLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000270961108 403245525 /nfs/dbraw/zinc/24/55/25/403245525.db2.gz AVGKENACFVIBFW-OLMNPRSZSA-N 2 2 310.401 2.371 20 30 DEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000270961108 403245528 /nfs/dbraw/zinc/24/55/28/403245528.db2.gz AVGKENACFVIBFW-OLMNPRSZSA-N 2 2 310.401 2.371 20 30 DEEDLP C=CCOCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000293654546 403530218 /nfs/dbraw/zinc/53/02/18/403530218.db2.gz YELLSJSELXWHMM-UHFFFAOYSA-N 2 2 304.438 2.233 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347218219 403625287 /nfs/dbraw/zinc/62/52/87/403625287.db2.gz UKKLONSJRFMTCV-DOTOQJQBSA-N 2 2 317.433 2.348 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347218219 403625292 /nfs/dbraw/zinc/62/52/92/403625292.db2.gz UKKLONSJRFMTCV-DOTOQJQBSA-N 2 2 317.433 2.348 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C(C)C ZINC000287647352 403642415 /nfs/dbraw/zinc/64/24/15/403642415.db2.gz QZNXEJPWHHXYCL-HNNXBMFYSA-N 2 2 304.438 2.157 20 30 DEEDLP N#CCCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289474726 403979714 /nfs/dbraw/zinc/97/97/14/403979714.db2.gz ZHGCDRWUDZVJHM-HNNXBMFYSA-N 2 2 300.406 2.439 20 30 DEEDLP N#CCCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289474726 403979722 /nfs/dbraw/zinc/97/97/22/403979722.db2.gz ZHGCDRWUDZVJHM-HNNXBMFYSA-N 2 2 300.406 2.439 20 30 DEEDLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329484883 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324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571670 779358536 /nfs/dbraw/zinc/35/85/36/779358536.db2.gz FHXPKMRDRAANEE-DLBZAZTESA-N 2 2 324.428 2.249 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001088335176 779985058 /nfs/dbraw/zinc/98/50/58/779985058.db2.gz XPNNDXWKHCNHGM-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600238 780570213 /nfs/dbraw/zinc/57/02/13/780570213.db2.gz DYOPAMDNPIJBGI-OCCSQVGLSA-N 2 2 307.463 2.188 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600238 780570218 /nfs/dbraw/zinc/57/02/18/780570218.db2.gz DYOPAMDNPIJBGI-OCCSQVGLSA-N 2 2 307.463 2.188 20 30 DEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659076 783328684 /nfs/dbraw/zinc/32/86/84/783328684.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659076 783328696 /nfs/dbraw/zinc/32/86/96/783328696.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659076 783328700 /nfs/dbraw/zinc/32/87/00/783328700.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659076 783328710 /nfs/dbraw/zinc/32/87/10/783328710.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659075 783329047 /nfs/dbraw/zinc/32/90/47/783329047.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659075 783329061 /nfs/dbraw/zinc/32/90/61/783329061.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659075 783329072 /nfs/dbraw/zinc/32/90/72/783329072.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659075 783329081 /nfs/dbraw/zinc/32/90/81/783329081.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 2 2 319.493 2.101 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948451826 783472687 /nfs/dbraw/zinc/47/26/87/783472687.db2.gz FKBXRMLEYRILBZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948451826 783472692 /nfs/dbraw/zinc/47/26/92/783472692.db2.gz FKBXRMLEYRILBZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948451826 783472695 /nfs/dbraw/zinc/47/26/95/783472695.db2.gz FKBXRMLEYRILBZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948451826 783472702 /nfs/dbraw/zinc/47/27/02/783472702.db2.gz FKBXRMLEYRILBZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001085327368 783640793 /nfs/dbraw/zinc/64/07/93/783640793.db2.gz KLCOMWUOQRZPPK-RBSFLKMASA-N 2 2 316.449 2.423 20 30 DEEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968898675 784641487 /nfs/dbraw/zinc/64/14/87/784641487.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968898675 784641492 /nfs/dbraw/zinc/64/14/92/784641492.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968898675 784641496 /nfs/dbraw/zinc/64/14/96/784641496.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968898675 784641502 /nfs/dbraw/zinc/64/15/02/784641502.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007331939 784889205 /nfs/dbraw/zinc/88/92/05/784889205.db2.gz FEBPTCZPWBLIGG-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007331939 784889210 /nfs/dbraw/zinc/88/92/10/784889210.db2.gz FEBPTCZPWBLIGG-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071670 785377449 /nfs/dbraw/zinc/37/74/49/785377449.db2.gz FSSHLMGOFDPNLV-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071670 785377456 /nfs/dbraw/zinc/37/74/56/785377456.db2.gz FSSHLMGOFDPNLV-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071674 785377526 /nfs/dbraw/zinc/37/75/26/785377526.db2.gz FSSHLMGOFDPNLV-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071674 785377533 /nfs/dbraw/zinc/37/75/33/785377533.db2.gz FSSHLMGOFDPNLV-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491425 787404002 /nfs/dbraw/zinc/40/40/02/787404002.db2.gz SGAMDIJSWLSYJW-OAHLLOKOSA-N 2 2 318.465 2.275 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491425 787404005 /nfs/dbraw/zinc/40/40/05/787404005.db2.gz SGAMDIJSWLSYJW-OAHLLOKOSA-N 2 2 318.465 2.275 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222180 787980337 /nfs/dbraw/zinc/98/03/37/787980337.db2.gz UWYVLHMMQHSUGM-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222180 787980339 /nfs/dbraw/zinc/98/03/39/787980339.db2.gz UWYVLHMMQHSUGM-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541314 788118192 /nfs/dbraw/zinc/11/81/92/788118192.db2.gz CVMAMHLASMIAOY-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541314 788118196 /nfs/dbraw/zinc/11/81/96/788118196.db2.gz CVMAMHLASMIAOY-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541314 788118200 /nfs/dbraw/zinc/11/82/00/788118200.db2.gz CVMAMHLASMIAOY-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782789 788190532 /nfs/dbraw/zinc/19/05/32/788190532.db2.gz RZPYXJLVGBRYDA-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919363 788227565 /nfs/dbraw/zinc/22/75/65/788227565.db2.gz JCNACTDGBFCIKZ-DZGCQCFKSA-N 2 2 312.417 2.437 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097823597 788244193 /nfs/dbraw/zinc/24/41/93/788244193.db2.gz HWSZGPKWUDNEDH-CLWVCHIJSA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097823597 788244200 /nfs/dbraw/zinc/24/42/00/788244200.db2.gz HWSZGPKWUDNEDH-CLWVCHIJSA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132998002 788251586 /nfs/dbraw/zinc/25/15/86/788251586.db2.gz LQVKXJANTVZLFH-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743906 789060813 /nfs/dbraw/zinc/06/08/13/789060813.db2.gz FPSSGVIMMMFLGT-CABCVRRESA-N 2 2 319.449 2.472 20 30 DEEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732377 789065664 /nfs/dbraw/zinc/06/56/64/789065664.db2.gz IKWUPMSRJBWOTM-KGLIPLIRSA-N 2 2 305.422 2.082 20 30 DEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136054195 789610669 /nfs/dbraw/zinc/61/06/69/789610669.db2.gz HXAWLBVZXTUKCJ-CABCVRRESA-N 2 2 306.454 2.192 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903263 791979532 /nfs/dbraw/zinc/97/95/32/791979532.db2.gz JBMWOEQOYSOMRY-KSSFIOAISA-N 2 2 310.401 2.333 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903263 791979539 /nfs/dbraw/zinc/97/95/39/791979539.db2.gz JBMWOEQOYSOMRY-KSSFIOAISA-N 2 2 310.401 2.333 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094963124 793518966 /nfs/dbraw/zinc/51/89/66/793518966.db2.gz SVDDRJKXBKHMNE-KKUMJFAQSA-N 2 2 310.401 2.103 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115602869 794837268 /nfs/dbraw/zinc/83/72/68/794837268.db2.gz GWDDOIWDSWMHNX-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704513 794982596 /nfs/dbraw/zinc/98/25/96/794982596.db2.gz XRVCYHZRASEHPM-HOCLYGCPSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007484 795224379 /nfs/dbraw/zinc/22/43/79/795224379.db2.gz YEPUSQRKAFMDRV-SNPRPXQTSA-N 2 2 304.438 2.194 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184274088 796020236 /nfs/dbraw/zinc/02/02/36/796020236.db2.gz MOJXMVWLHUKFQM-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184535340 796077442 /nfs/dbraw/zinc/07/74/42/796077442.db2.gz SENQFXZARBCYFM-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184535340 796077444 /nfs/dbraw/zinc/07/74/44/796077444.db2.gz SENQFXZARBCYFM-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184535342 796077848 /nfs/dbraw/zinc/07/78/48/796077848.db2.gz SENQFXZARBCYFM-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184535342 796077857 /nfs/dbraw/zinc/07/78/57/796077857.db2.gz SENQFXZARBCYFM-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203079146 796597886 /nfs/dbraw/zinc/59/78/86/796597886.db2.gz OODPPLKCHPBCCV-DLBZAZTESA-N 2 2 322.412 2.217 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293306 797356235 /nfs/dbraw/zinc/35/62/35/797356235.db2.gz HRLXRDJEKYDFHN-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293306 797356241 /nfs/dbraw/zinc/35/62/41/797356241.db2.gz HRLXRDJEKYDFHN-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192560492 797406792 /nfs/dbraw/zinc/40/67/92/797406792.db2.gz QBADXMQTZZCRQO-INIZCTEOSA-N 2 2 306.454 2.455 20 30 DEEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192560492 797406794 /nfs/dbraw/zinc/40/67/94/797406794.db2.gz QBADXMQTZZCRQO-INIZCTEOSA-N 2 2 306.454 2.455 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153895251 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318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001483842899 1079146023 /nfs/dbraw/zinc/14/60/23/1079146023.db2.gz RGSVNHMAERKXGG-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001483842899 1079146033 /nfs/dbraw/zinc/14/60/33/1079146033.db2.gz RGSVNHMAERKXGG-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001483842899 1079146040 /nfs/dbraw/zinc/14/60/40/1079146040.db2.gz RGSVNHMAERKXGG-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001483842899 1079146045 /nfs/dbraw/zinc/14/60/45/1079146045.db2.gz RGSVNHMAERKXGG-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C\CC)C1 ZINC001267942081 1079622713 /nfs/dbraw/zinc/62/27/13/1079622713.db2.gz ACQIIPRAJUUXSE-WIJVFFIESA-N 2 2 317.477 2.021 20 30 DEEDLP 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20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000950615099 1081376821 /nfs/dbraw/zinc/37/68/21/1081376821.db2.gz MEOMHDCLJLHKAX-DOTOQJQBSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001270075491 1081444541 /nfs/dbraw/zinc/44/45/41/1081444541.db2.gz GUPKPLNSMBLUCS-OAHLLOKOSA-N 2 2 312.417 2.426 20 30 DEEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2occc2C[NH+](C)C)C1 ZINC000951551748 1081532613 /nfs/dbraw/zinc/53/26/13/1081532613.db2.gz BRBHIIDXUXLTQK-UHFFFAOYSA-N 2 2 319.449 2.454 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001671698068 1081534372 /nfs/dbraw/zinc/53/43/72/1081534372.db2.gz AGVPLOUJJQGUOE-QGZVFWFLSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001671698068 1081534377 /nfs/dbraw/zinc/53/43/77/1081534377.db2.gz AGVPLOUJJQGUOE-QGZVFWFLSA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671916284 1081550028 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NOYKHHREWORXPN-LSDHHAIUSA-N 2 2 306.454 2.358 20 30 DEEDLP C=CCCC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001486477460 1085359180 /nfs/dbraw/zinc/35/91/80/1085359180.db2.gz PKWOIIBBPDZNEU-QQFBHYJXSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961166487 1085622065 /nfs/dbraw/zinc/62/20/65/1085622065.db2.gz KCFREIGZXTVCFT-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961166487 1085622071 /nfs/dbraw/zinc/62/20/71/1085622071.db2.gz KCFREIGZXTVCFT-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961166487 1085622078 /nfs/dbraw/zinc/62/20/78/1085622078.db2.gz KCFREIGZXTVCFT-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961166487 1085622085 /nfs/dbraw/zinc/62/20/85/1085622085.db2.gz KCFREIGZXTVCFT-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001081203709 1089373175 /nfs/dbraw/zinc/37/31/75/1089373175.db2.gz ZNDCDNVTVYUOOM-DLBZAZTESA-N 2 2 324.428 2.113 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383551 1090281854 /nfs/dbraw/zinc/28/18/54/1090281854.db2.gz QXECOPFURXROGR-UKRRQHHQSA-N 2 2 319.474 2.142 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383551 1090281861 /nfs/dbraw/zinc/28/18/61/1090281861.db2.gz QXECOPFURXROGR-UKRRQHHQSA-N 2 2 319.474 2.142 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452538 1090295464 /nfs/dbraw/zinc/29/54/64/1090295464.db2.gz KELRJRJOGWFSEB-CXAGYDPISA-N 2 2 310.401 2.285 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452538 1090295472 /nfs/dbraw/zinc/29/54/72/1090295472.db2.gz KELRJRJOGWFSEB-CXAGYDPISA-N 2 2 310.401 2.285 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963263 1090547073 /nfs/dbraw/zinc/54/70/73/1090547073.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963263 1090547076 /nfs/dbraw/zinc/54/70/76/1090547076.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084963263 1090547081 /nfs/dbraw/zinc/54/70/81/1090547081.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084963263 1090547086 /nfs/dbraw/zinc/54/70/86/1090547086.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001411216406 1091430743 /nfs/dbraw/zinc/43/07/43/1091430743.db2.gz QEDHFQLFKGXHOO-ZDUSSCGKSA-N 2 2 312.845 2.146 20 30 DEEDLP CCCCCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275131666 1091574748 /nfs/dbraw/zinc/57/47/48/1091574748.db2.gz WIHDFOPFKKCEPZ-ROUUACIJSA-N 2 2 320.481 2.239 20 30 DEEDLP CCCCCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275131666 1091574753 /nfs/dbraw/zinc/57/47/53/1091574753.db2.gz WIHDFOPFKKCEPZ-ROUUACIJSA-N 2 2 320.481 2.239 20 30 DEEDLP C=C(C)CC[NH2+]CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001273450595 1091773242 /nfs/dbraw/zinc/77/32/42/1091773242.db2.gz SDBAFENWPJDKRP-UHFFFAOYSA-N 2 2 306.454 2.331 20 30 DEEDLP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001489000537 1092877304 /nfs/dbraw/zinc/87/73/04/1092877304.db2.gz FLIUSNBXKWRERP-WBVHZDCISA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489200848 1092971771 /nfs/dbraw/zinc/97/17/71/1092971771.db2.gz NWHIARXCANVBBC-OAGGEKHMSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489200848 1092971778 /nfs/dbraw/zinc/97/17/78/1092971778.db2.gz NWHIARXCANVBBC-OAGGEKHMSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238110560 1138823730 /nfs/dbraw/zinc/82/37/30/1138823730.db2.gz MZVAZDDEMLMDEN-CQSZACIVSA-N 2 2 314.389 2.211 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238110560 1138823731 /nfs/dbraw/zinc/82/37/31/1138823731.db2.gz MZVAZDDEMLMDEN-CQSZACIVSA-N 2 2 314.389 2.211 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001320493050 1140871883 /nfs/dbraw/zinc/87/18/83/1140871883.db2.gz XGJPKDNKFMFGKI-CQSZACIVSA-N 2 2 300.406 2.399 20 30 DEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001252466169 1142723418 /nfs/dbraw/zinc/72/34/18/1142723418.db2.gz NAUMCADAPMJLKB-IBGZPJMESA-N 2 2 318.461 2.146 20 30 DEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001252466169 1142723430 /nfs/dbraw/zinc/72/34/30/1142723430.db2.gz NAUMCADAPMJLKB-IBGZPJMESA-N 2 2 318.461 2.146 20 30 DEEDLP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857015 1143341015 /nfs/dbraw/zinc/34/10/15/1143341015.db2.gz NAZKICWORCBUOF-QGZVFWFLSA-N 2 2 317.477 2.114 20 30 DEEDLP C#C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574270 1144320594 /nfs/dbraw/zinc/32/05/94/1144320594.db2.gz OHVMZXBWLPYZII-PKOBYXMFSA-N 2 2 300.446 2.261 20 30 DEEDLP C#C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574270 1144320598 /nfs/dbraw/zinc/32/05/98/1144320598.db2.gz OHVMZXBWLPYZII-PKOBYXMFSA-N 2 2 300.446 2.261 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001264071254 1144454865 /nfs/dbraw/zinc/45/48/65/1144454865.db2.gz ATFBEMADAUADBR-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001264071254 1144454878 /nfs/dbraw/zinc/45/48/78/1144454878.db2.gz ATFBEMADAUADBR-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001264162033 1144492749 /nfs/dbraw/zinc/49/27/49/1144492749.db2.gz GBOGPARDRQSWIQ-OAGGEKHMSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001264162033 1144492757 /nfs/dbraw/zinc/49/27/57/1144492757.db2.gz GBOGPARDRQSWIQ-OAGGEKHMSA-N 2 2 304.438 2.379 20 30 DEEDLP C=C(C)CC[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001265011753 1144624265 /nfs/dbraw/zinc/62/42/65/1144624265.db2.gz ZPKKICVYTVQZSC-UHFFFAOYSA-N 2 2 300.406 2.352 20 30 DEEDLP C=C(C)CC[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001265011753 1144624267 /nfs/dbraw/zinc/62/42/67/1144624267.db2.gz ZPKKICVYTVQZSC-UHFFFAOYSA-N 2 2 300.406 2.352 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001366597146 1147381666 /nfs/dbraw/zinc/38/16/66/1147381666.db2.gz SIFNLRYUQYSBSI-UHFFFAOYSA-N 2 2 309.841 2.162 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001366597146 1147381668 /nfs/dbraw/zinc/38/16/68/1147381668.db2.gz SIFNLRYUQYSBSI-UHFFFAOYSA-N 2 2 309.841 2.162 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001367169724 1147659781 /nfs/dbraw/zinc/65/97/81/1147659781.db2.gz DZHTVXAFKGCIOV-IOASZLSFSA-N 2 2 322.840 2.140 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317204744 1147675987 /nfs/dbraw/zinc/67/59/87/1147675987.db2.gz QXIIRESUXZTQEP-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317204744 1147675989 /nfs/dbraw/zinc/67/59/89/1147675989.db2.gz QXIIRESUXZTQEP-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317204744 1147675991 /nfs/dbraw/zinc/67/59/91/1147675991.db2.gz QXIIRESUXZTQEP-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317204744 1147675993 /nfs/dbraw/zinc/67/59/93/1147675993.db2.gz QXIIRESUXZTQEP-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317300381 1147687706 /nfs/dbraw/zinc/68/77/06/1147687706.db2.gz XLGFRVSKJNDEFU-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCCC)C1 ZINC001317934326 1147762093 /nfs/dbraw/zinc/76/20/93/1147762093.db2.gz VOZIMVPHPSYSPK-MSOLQXFVSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCCC)C1 ZINC001317934326 1147762095 /nfs/dbraw/zinc/76/20/95/1147762095.db2.gz VOZIMVPHPSYSPK-MSOLQXFVSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCC)C1 ZINC001317934326 1147762096 /nfs/dbraw/zinc/76/20/96/1147762096.db2.gz VOZIMVPHPSYSPK-MSOLQXFVSA-N 2 2 319.493 2.245 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCC)C1 ZINC001317934326 1147762098 /nfs/dbraw/zinc/76/20/98/1147762098.db2.gz VOZIMVPHPSYSPK-MSOLQXFVSA-N 2 2 319.493 2.245 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001367869785 1147763800 /nfs/dbraw/zinc/76/38/00/1147763800.db2.gz UXUFFPHXORZANW-ZIAGYGMSSA-N 2 2 324.856 2.278 20 30 DEEDLP C[NH+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181392701 199289849 /nfs/dbraw/zinc/28/98/49/199289849.db2.gz GAGADUIIINLJJS-UHFFFAOYSA-N 3 2 300.450 2.064 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3cccn3)CC2)cc1 ZINC000181447541 199297759 /nfs/dbraw/zinc/29/77/59/199297759.db2.gz RFUNCGWRRXPWFM-UHFFFAOYSA-N 2 2 323.444 2.399 20 30 DEEDLP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000331486415 529973431 /nfs/dbraw/zinc/97/34/31/529973431.db2.gz UUMCLGOTNLAKBB-GBESFXJTSA-N 2 2 313.445 2.247 20 30 DEEDLP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000331486415 529973432 /nfs/dbraw/zinc/97/34/32/529973432.db2.gz UUMCLGOTNLAKBB-GBESFXJTSA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000331486415 529973433 /nfs/dbraw/zinc/97/34/33/529973433.db2.gz UUMCLGOTNLAKBB-GBESFXJTSA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000331486415 529973435 /nfs/dbraw/zinc/97/34/35/529973435.db2.gz UUMCLGOTNLAKBB-GBESFXJTSA-N 2 2 313.445 2.247 20 30 DEEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[N@H+](C)C1 ZINC000328959840 539912370 /nfs/dbraw/zinc/91/23/70/539912370.db2.gz QCBKGJKEYIDUPS-GJZGRUSLSA-N 2 2 314.389 2.394 20 30 DEEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[N@@H+](C)C1 ZINC000328959840 539912375 /nfs/dbraw/zinc/91/23/75/539912375.db2.gz QCBKGJKEYIDUPS-GJZGRUSLSA-N 2 2 314.389 2.394 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCC([NH3+])CC3)CC2)c1 ZINC000593320380 358053560 /nfs/dbraw/zinc/05/35/60/358053560.db2.gz HIYQODPJFDDYRL-UHFFFAOYSA-N 3 2 312.461 2.382 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849426 781937039 /nfs/dbraw/zinc/93/70/39/781937039.db2.gz QTOGAPUQMKBQDV-KFWWJZLASA-N 2 2 316.449 2.375 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849426 781937042 /nfs/dbraw/zinc/93/70/42/781937042.db2.gz QTOGAPUQMKBQDV-KFWWJZLASA-N 2 2 316.449 2.375 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157694 361286142 /nfs/dbraw/zinc/28/61/42/361286142.db2.gz PFJQIIPTFPWVAN-ZDUSSCGKSA-N 2 2 315.402 2.092 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157694 361286147 /nfs/dbraw/zinc/28/61/47/361286147.db2.gz PFJQIIPTFPWVAN-ZDUSSCGKSA-N 2 2 315.402 2.092 20 30 DEEDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000275443137 212335097 /nfs/dbraw/zinc/33/50/97/212335097.db2.gz GANVUDUSKPHLOT-RHSMWYFYSA-N 2 2 314.364 2.441 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267440804 206069391 /nfs/dbraw/zinc/06/93/91/206069391.db2.gz OXRLFHBHZXZFFF-HUUCEWRRSA-N 2 2 304.438 2.402 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267440804 206069395 /nfs/dbraw/zinc/06/93/95/206069395.db2.gz OXRLFHBHZXZFFF-HUUCEWRRSA-N 2 2 304.438 2.402 20 30 DEEDLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000537593086 285003794 /nfs/dbraw/zinc/00/37/94/285003794.db2.gz UUHMXCQVZACNNJ-QGZVFWFLSA-N 2 2 321.428 2.285 20 30 DEEDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000537593086 285003796 /nfs/dbraw/zinc/00/37/96/285003796.db2.gz UUHMXCQVZACNNJ-QGZVFWFLSA-N 2 2 321.428 2.285 20 30 DEEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270097702 208156494 /nfs/dbraw/zinc/15/64/94/208156494.db2.gz BGLLNUIJENFPJL-OAHLLOKOSA-N 2 2 312.417 2.111 20 30 DEEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270097702 208156497 /nfs/dbraw/zinc/15/64/97/208156497.db2.gz BGLLNUIJENFPJL-OAHLLOKOSA-N 2 2 312.417 2.111 20 30 DEEDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000305858533 145348666 /nfs/dbraw/zinc/34/86/66/145348666.db2.gz WUAXHFVHZQBIGF-WMLDXEAASA-N 2 2 319.424 2.441 20 30 DEEDLP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000127192521 401724389 /nfs/dbraw/zinc/72/43/89/401724389.db2.gz GQTZABHQEIWCTG-IPJUCJBFSA-N 2 2 313.445 2.168 20 30 DEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860227 401771427 /nfs/dbraw/zinc/77/14/27/401771427.db2.gz NJQQKENAIPRZRK-INIZCTEOSA-N 2 2 320.481 2.135 20 30 DEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860227 401771428 /nfs/dbraw/zinc/77/14/28/401771428.db2.gz NJQQKENAIPRZRK-INIZCTEOSA-N 2 2 320.481 2.135 20 30 DEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860227 401771431 /nfs/dbraw/zinc/77/14/31/401771431.db2.gz NJQQKENAIPRZRK-INIZCTEOSA-N 2 2 320.481 2.135 20 30 DEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860227 401771433 /nfs/dbraw/zinc/77/14/33/401771433.db2.gz NJQQKENAIPRZRK-INIZCTEOSA-N 2 2 320.481 2.135 20 30 DEEDLP C=CCC(CC=C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000128557439 401782630 /nfs/dbraw/zinc/78/26/30/401782630.db2.gz RDDYDJHHTHNIDC-UHFFFAOYSA-N 2 2 319.493 2.430 20 30 DEEDLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000566137795 292209364 /nfs/dbraw/zinc/20/93/64/292209364.db2.gz PNAGBNOUZLWWEF-INIZCTEOSA-N 2 2 311.389 2.384 20 30 DEEDLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000566137795 292209365 /nfs/dbraw/zinc/20/93/65/292209365.db2.gz PNAGBNOUZLWWEF-INIZCTEOSA-N 2 2 311.389 2.384 20 30 DEEDLP N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131932928 401859492 /nfs/dbraw/zinc/85/94/92/401859492.db2.gz GLJKRNOHHJRSAN-QGZVFWFLSA-N 2 2 309.369 2.485 20 30 DEEDLP N#Cc1ccccc1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131932928 401859493 /nfs/dbraw/zinc/85/94/93/401859493.db2.gz GLJKRNOHHJRSAN-QGZVFWFLSA-N 2 2 309.369 2.485 20 30 DEEDLP N#Cc1cc(F)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000103143273 402180211 /nfs/dbraw/zinc/18/02/11/402180211.db2.gz AAESDFDPMOFKJG-UHFFFAOYSA-N 2 2 317.408 2.242 20 30 DEEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454010 402462051 /nfs/dbraw/zinc/46/20/51/402462051.db2.gz RPBQDOOMPPYZBL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454010 402462052 /nfs/dbraw/zinc/46/20/52/402462052.db2.gz RPBQDOOMPPYZBL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454010 402462054 /nfs/dbraw/zinc/46/20/54/402462054.db2.gz RPBQDOOMPPYZBL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245454010 402462055 /nfs/dbraw/zinc/46/20/55/402462055.db2.gz RPBQDOOMPPYZBL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000170912880 402541279 /nfs/dbraw/zinc/54/12/79/402541279.db2.gz LPMSUMWIBCMGDX-UHFFFAOYSA-N 2 2 304.438 2.086 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000170912880 402541281 /nfs/dbraw/zinc/54/12/81/402541281.db2.gz LPMSUMWIBCMGDX-UHFFFAOYSA-N 2 2 304.438 2.086 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000264507830 402885040 /nfs/dbraw/zinc/88/50/40/402885040.db2.gz SBNWITBPZYWAIP-UHFFFAOYSA-N 2 2 324.428 2.312 20 30 DEEDLP C=CCC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000268633981 403101470 /nfs/dbraw/zinc/10/14/70/403101470.db2.gz LDXBOWKCCOWFIT-MRXNPFEDSA-N 2 2 318.465 2.358 20 30 DEEDLP C=CCCCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000275872462 403129986 /nfs/dbraw/zinc/12/99/86/403129986.db2.gz ZZBAFSZKRJGFHG-HNNXBMFYSA-N 2 2 316.449 2.247 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc(F)cn2)cc1 ZINC000276095076 403145529 /nfs/dbraw/zinc/14/55/29/403145529.db2.gz RDANAQKLFQUOET-UHFFFAOYSA-N 2 2 302.353 2.119 20 30 DEEDLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000270643977 403208066 /nfs/dbraw/zinc/20/80/66/403208066.db2.gz KDFKKZGGNHUFJC-UHFFFAOYSA-N 2 2 309.417 2.276 20 30 DEEDLP Cc1[nH+]ccn1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000270643977 403208067 /nfs/dbraw/zinc/20/80/67/403208067.db2.gz KDFKKZGGNHUFJC-UHFFFAOYSA-N 2 2 309.417 2.276 20 30 DEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000341131070 403788375 /nfs/dbraw/zinc/78/83/75/403788375.db2.gz BPZXOSOQSMNKPT-UHFFFAOYSA-N 2 2 322.372 2.327 20 30 DEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000341131070 403788382 /nfs/dbraw/zinc/78/83/82/403788382.db2.gz BPZXOSOQSMNKPT-UHFFFAOYSA-N 2 2 322.372 2.327 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000348103639 404040641 /nfs/dbraw/zinc/04/06/41/404040641.db2.gz OPPHVWCWMYWSPM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000348103639 404040644 /nfs/dbraw/zinc/04/06/44/404040644.db2.gz OPPHVWCWMYWSPM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000348103639 404040651 /nfs/dbraw/zinc/04/06/51/404040651.db2.gz OPPHVWCWMYWSPM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000348103639 404040658 /nfs/dbraw/zinc/04/06/58/404040658.db2.gz OPPHVWCWMYWSPM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)CCC2 ZINC000328641665 404122489 /nfs/dbraw/zinc/12/24/89/404122489.db2.gz DHMKCNHWMBAOEE-HNNXBMFYSA-N 2 2 319.453 2.011 20 30 DEEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328955632 404181966 /nfs/dbraw/zinc/18/19/66/404181966.db2.gz NHGBFPFYKYIDSW-OCCSQVGLSA-N 2 2 301.394 2.243 20 30 DEEDLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000329283946 404289012 /nfs/dbraw/zinc/28/90/12/404289012.db2.gz NRZCGQRAMCFUKX-CQSZACIVSA-N 2 2 320.437 2.332 20 30 DEEDLP C=CC[N@@H+](CCOC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342150629 404404297 /nfs/dbraw/zinc/40/42/97/404404297.db2.gz ATNIDRBPGFEWOO-LJQANCHMSA-N 2 2 318.461 2.412 20 30 DEEDLP C=CC[N@H+](CCOC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342150629 404404305 /nfs/dbraw/zinc/40/43/05/404404305.db2.gz ATNIDRBPGFEWOO-LJQANCHMSA-N 2 2 318.461 2.412 20 30 DEEDLP C=CC[NH+](CCOC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342150629 404404311 /nfs/dbraw/zinc/40/43/11/404404311.db2.gz ATNIDRBPGFEWOO-LJQANCHMSA-N 2 2 318.461 2.412 20 30 DEEDLP C=CC[NH+](CCOC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342150629 404404316 /nfs/dbraw/zinc/40/43/16/404404316.db2.gz ATNIDRBPGFEWOO-LJQANCHMSA-N 2 2 318.461 2.412 20 30 DEEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330245991 404599627 /nfs/dbraw/zinc/59/96/27/404599627.db2.gz DYBBUPPNRVVEHS-GJZGRUSLSA-N 2 2 319.453 2.438 20 30 DEEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000330245991 404599631 /nfs/dbraw/zinc/59/96/31/404599631.db2.gz DYBBUPPNRVVEHS-GJZGRUSLSA-N 2 2 319.453 2.438 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819082 404602080 /nfs/dbraw/zinc/60/20/80/404602080.db2.gz UFSYZHLNBTXJSS-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819082 404602082 /nfs/dbraw/zinc/60/20/82/404602082.db2.gz UFSYZHLNBTXJSS-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C=CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000353361711 404813335 /nfs/dbraw/zinc/81/33/35/404813335.db2.gz WIQCVWATVGUVEH-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CCOc1cccc(C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000353361711 404813338 /nfs/dbraw/zinc/81/33/38/404813338.db2.gz WIQCVWATVGUVEH-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353408331 404824905 /nfs/dbraw/zinc/82/49/05/404824905.db2.gz CRTAELBUGXZQPV-HKUYNNGSSA-N 2 2 313.445 2.228 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353449003 404833761 /nfs/dbraw/zinc/83/37/61/404833761.db2.gz LYFKOGGDKBDJCO-QAPCUYQASA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353449003 404833762 /nfs/dbraw/zinc/83/37/62/404833762.db2.gz LYFKOGGDKBDJCO-QAPCUYQASA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420333501 405323383 /nfs/dbraw/zinc/32/33/83/405323383.db2.gz NXCFICYLQSOQOI-UHFFFAOYSA-N 2 2 305.447 2.325 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420333501 405323385 /nfs/dbraw/zinc/32/33/85/405323385.db2.gz NXCFICYLQSOQOI-UHFFFAOYSA-N 2 2 305.447 2.325 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421334032 405465209 /nfs/dbraw/zinc/46/52/09/405465209.db2.gz PBMAIASGJPWSRN-INIZCTEOSA-N 2 2 305.397 2.144 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421334032 405465212 /nfs/dbraw/zinc/46/52/12/405465212.db2.gz PBMAIASGJPWSRN-INIZCTEOSA-N 2 2 305.397 2.144 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430931932 405533369 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2 301.434 2.446 20 30 DEEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005710 643222036 /nfs/dbraw/zinc/22/20/36/643222036.db2.gz YKGJPDKODCZYOD-QZTJIDSGSA-N 2 2 301.434 2.446 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@]12CCOC2)C(C)C ZINC000903066995 643235939 /nfs/dbraw/zinc/23/59/39/643235939.db2.gz PREXUJBQXGPHPM-SQNIBIBYSA-N 2 2 308.466 2.223 20 30 DEEDLP C=CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903884003 643496199 /nfs/dbraw/zinc/49/61/99/643496199.db2.gz OSSSTGMLMXUJSN-QGZVFWFLSA-N 2 2 311.433 2.391 20 30 DEEDLP C=CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903884003 643496201 /nfs/dbraw/zinc/49/62/01/643496201.db2.gz OSSSTGMLMXUJSN-QGZVFWFLSA-N 2 2 311.433 2.391 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314527 646514861 /nfs/dbraw/zinc/51/48/61/646514861.db2.gz GUJLAWMXLVEYSU-PBHICJAKSA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C 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SHKYCAQJLBGMKF-UKRRQHHQSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184407 649177147 /nfs/dbraw/zinc/17/71/47/649177147.db2.gz SHKYCAQJLBGMKF-UKRRQHHQSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943878837 649447715 /nfs/dbraw/zinc/44/77/15/649447715.db2.gz SQGGMPNEIHUSAK-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943878837 649447716 /nfs/dbraw/zinc/44/77/16/649447716.db2.gz SQGGMPNEIHUSAK-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC001356610408 1152095101 /nfs/dbraw/zinc/09/51/01/1152095101.db2.gz OTWFFVLBVFVLNK-MRXNPFEDSA-N 2 2 308.372 2.076 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228540 693891226 /nfs/dbraw/zinc/89/12/26/693891226.db2.gz SJNHDVSFQUHGMD-GOSISDBHSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228540 693891228 /nfs/dbraw/zinc/89/12/28/693891228.db2.gz SJNHDVSFQUHGMD-GOSISDBHSA-N 2 2 316.449 2.188 20 30 DEEDLP C[NH2+]CCC1CC[NH+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866661202 687643931 /nfs/dbraw/zinc/64/39/31/687643931.db2.gz PZPQTISZXQLPSX-QGZVFWFLSA-N 2 2 315.417 2.094 20 30 DEEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001017932674 688003978 /nfs/dbraw/zinc/00/39/78/688003978.db2.gz KREBALCLQUXJLC-QLFBSQMISA-N 2 2 314.433 2.081 20 30 DEEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001017932674 688003986 /nfs/dbraw/zinc/00/39/86/688003986.db2.gz KREBALCLQUXJLC-QLFBSQMISA-N 2 2 314.433 2.081 20 30 DEEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018006903 688025641 /nfs/dbraw/zinc/02/56/41/688025641.db2.gz GNSLXPHBOYJRKM-HRCADAONSA-N 2 2 302.422 2.086 20 30 DEEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018006903 688025647 /nfs/dbraw/zinc/02/56/47/688025647.db2.gz GNSLXPHBOYJRKM-HRCADAONSA-N 2 2 302.422 2.086 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028716523 688541973 /nfs/dbraw/zinc/54/19/73/688541973.db2.gz ZRYGHNBQQGAVEI-OAHLLOKOSA-N 2 2 310.401 2.110 20 30 DEEDLP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028716523 688541976 /nfs/dbraw/zinc/54/19/76/688541976.db2.gz ZRYGHNBQQGAVEI-OAHLLOKOSA-N 2 2 310.401 2.110 20 30 DEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027045 689045025 /nfs/dbraw/zinc/04/50/25/689045025.db2.gz MIJWZRSSPAGWFC-OAHLLOKOSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027045 689045027 /nfs/dbraw/zinc/04/50/27/689045027.db2.gz MIJWZRSSPAGWFC-OAHLLOKOSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001032621181 689204640 /nfs/dbraw/zinc/20/46/40/689204640.db2.gz SYOUCCAANRAKON-SOUVJXGZSA-N 2 2 314.433 2.081 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001032621181 689204643 /nfs/dbraw/zinc/20/46/43/689204643.db2.gz SYOUCCAANRAKON-SOUVJXGZSA-N 2 2 314.433 2.081 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033417549 689493244 /nfs/dbraw/zinc/49/32/44/689493244.db2.gz UUEAJZYUOXKFPH-HUUCEWRRSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033417549 689493247 /nfs/dbraw/zinc/49/32/47/689493247.db2.gz UUEAJZYUOXKFPH-HUUCEWRRSA-N 2 2 316.449 2.329 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553888 689540355 /nfs/dbraw/zinc/54/03/55/689540355.db2.gz LKXJCORYWTWTCQ-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553888 689540358 /nfs/dbraw/zinc/54/03/58/689540358.db2.gz LKXJCORYWTWTCQ-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554173 689540371 /nfs/dbraw/zinc/54/03/71/689540371.db2.gz OZOWQQNUBNONDB-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554173 689540373 /nfs/dbraw/zinc/54/03/73/689540373.db2.gz OZOWQQNUBNONDB-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001034679207 689925564 /nfs/dbraw/zinc/92/55/64/689925564.db2.gz SYAPOAULAPYCNC-RBSFLKMASA-N 2 2 316.449 2.026 20 30 DEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001034679207 689925566 /nfs/dbraw/zinc/92/55/66/689925566.db2.gz SYAPOAULAPYCNC-RBSFLKMASA-N 2 2 316.449 2.026 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001036104072 690261350 /nfs/dbraw/zinc/26/13/50/690261350.db2.gz GASHFYLGGRQDQB-LSDHHAIUSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037842173 690621310 /nfs/dbraw/zinc/62/13/10/690621310.db2.gz SRWCNLJTVQRWFX-UONOGXRCSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037842171 690621418 /nfs/dbraw/zinc/62/14/18/690621418.db2.gz SRWCNLJTVQRWFX-KBPBESRZSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CC ZINC001037849654 690622693 /nfs/dbraw/zinc/62/26/93/690622693.db2.gz FUESGHWKLIYQHF-DZGCQCFKSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037849654 690622695 /nfs/dbraw/zinc/62/26/95/690622695.db2.gz FUESGHWKLIYQHF-DZGCQCFKSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001037963521 690650857 /nfs/dbraw/zinc/65/08/57/690650857.db2.gz QDCFSNUYNKCMMI-NVXWUHKLSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038314430 690778299 /nfs/dbraw/zinc/77/82/99/690778299.db2.gz KMJBQDQKECEFLS-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038314430 690778303 /nfs/dbraw/zinc/77/83/03/690778303.db2.gz KMJBQDQKECEFLS-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP N#Cc1ccc(OCCC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931509792 694415730 /nfs/dbraw/zinc/41/57/30/694415730.db2.gz UWKKMAAXKHLPLM-UHFFFAOYSA-N 2 2 308.385 2.363 20 30 DEEDLP N#Cc1ccc(OCCC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931509792 694415731 /nfs/dbraw/zinc/41/57/31/694415731.db2.gz UWKKMAAXKHLPLM-UHFFFAOYSA-N 2 2 308.385 2.363 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222627 691059535 /nfs/dbraw/zinc/05/95/35/691059535.db2.gz JPDNCGIGVACXMG-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222627 691059537 /nfs/dbraw/zinc/05/95/37/691059537.db2.gz JPDNCGIGVACXMG-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP CCN1CC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883355516 691487618 /nfs/dbraw/zinc/48/76/18/691487618.db2.gz SPPNBMSUVSGIQE-IBGZPJMESA-N 2 2 312.461 2.206 20 30 DEEDLP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883391832 691495676 /nfs/dbraw/zinc/49/56/76/691495676.db2.gz SQNNSCBYWJOFIH-IBGZPJMESA-N 2 2 313.445 2.439 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001044642546 691863831 /nfs/dbraw/zinc/86/38/31/691863831.db2.gz VNDRTTJWDVZSOV-GDBMZVCRSA-N 2 2 317.433 2.178 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545919 692917887 /nfs/dbraw/zinc/91/78/87/692917887.db2.gz OFGYDVBBIYLYMX-JKSUJKDBSA-N 2 2 316.449 2.178 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545919 692917888 /nfs/dbraw/zinc/91/78/88/692917888.db2.gz OFGYDVBBIYLYMX-JKSUJKDBSA-N 2 2 316.449 2.178 20 30 DEEDLP C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001050561045 693207010 /nfs/dbraw/zinc/20/70/10/693207010.db2.gz MTJPHQHDHDRKNQ-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001050694256 693233538 /nfs/dbraw/zinc/23/35/38/693233538.db2.gz QNWDCRQCVDGTPL-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050694256 693233540 /nfs/dbraw/zinc/23/35/40/693233540.db2.gz QNWDCRQCVDGTPL-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC001356571677 1152090458 /nfs/dbraw/zinc/09/04/58/1152090458.db2.gz XKVRWVFBCDLTGC-AWEZNQCLSA-N 2 2 311.389 2.009 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001379732577 1152682647 /nfs/dbraw/zinc/68/26/47/1152682647.db2.gz ZRKDJFVYXPPPGE-AWEZNQCLSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001403926333 1163299789 /nfs/dbraw/zinc/29/97/89/1163299789.db2.gz STPXBECHWTVFNM-LSDHHAIUSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001403926333 1163299805 /nfs/dbraw/zinc/29/98/05/1163299805.db2.gz STPXBECHWTVFNM-LSDHHAIUSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001418128943 1167429597 /nfs/dbraw/zinc/42/95/97/1167429597.db2.gz NNITXLGXBICUPV-LSDHHAIUSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001418128943 1167429602 /nfs/dbraw/zinc/42/96/02/1167429602.db2.gz NNITXLGXBICUPV-LSDHHAIUSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418584340 1167827042 /nfs/dbraw/zinc/82/70/42/1167827042.db2.gz BOWJLAMMBZBXDK-HNNXBMFYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418584340 1167827045 /nfs/dbraw/zinc/82/70/45/1167827045.db2.gz BOWJLAMMBZBXDK-HNNXBMFYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001332341073 1149851545 /nfs/dbraw/zinc/85/15/45/1149851545.db2.gz NTGCGVIZBORAPX-HOTGVXAUSA-N 2 2 304.438 2.114 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001332891604 1149916476 /nfs/dbraw/zinc/91/64/76/1149916476.db2.gz HYIRIKCKWKDTKS-OAHLLOKOSA-N 2 2 306.454 2.049 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710749 782873506 /nfs/dbraw/zinc/87/35/06/782873506.db2.gz UZERAJNAKOAJHB-BRWVUGGUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800921 782945110 /nfs/dbraw/zinc/94/51/10/782945110.db2.gz OUDDJTOCKXKVMA-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345644 777088815 /nfs/dbraw/zinc/08/88/15/777088815.db2.gz MAWOGRBXVRNTGK-GDBMZVCRSA-N 2 2 318.465 2.187 20 30 DEEDLP C=CCN(CC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001207204393 777139038 /nfs/dbraw/zinc/13/90/38/777139038.db2.gz LQKBRKZNRXZSLV-HZPDHXFCSA-N 2 2 323.481 2.293 20 30 DEEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535786 779186339 /nfs/dbraw/zinc/18/63/39/779186339.db2.gz AJPZZQDKIVYJIU-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001088314577 779937924 /nfs/dbraw/zinc/93/79/24/779937924.db2.gz BLKAFEWVESZZJL-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404817 780078341 /nfs/dbraw/zinc/07/83/41/780078341.db2.gz HEEWRRYFCASEBR-CYBMUJFWSA-N 2 2 310.829 2.066 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496018 784033513 /nfs/dbraw/zinc/03/35/13/784033513.db2.gz LAJLAYHYUCLTPX-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496018 784033518 /nfs/dbraw/zinc/03/35/18/784033518.db2.gz LAJLAYHYUCLTPX-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091227858 791048181 /nfs/dbraw/zinc/04/81/81/791048181.db2.gz RWWMYPJUUQJFQQ-BPCQOVAHSA-N 2 2 322.840 2.067 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969092223 784723026 /nfs/dbraw/zinc/72/30/26/784723026.db2.gz OTXXOGFCESGYNZ-GFCCVEGCSA-N 2 2 304.781 2.120 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176156 787303936 /nfs/dbraw/zinc/30/39/36/787303936.db2.gz DRLBRTVENGCCDE-UHFFFAOYSA-N 2 2 305.422 2.085 20 30 DEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097318278 788058621 /nfs/dbraw/zinc/05/86/21/788058621.db2.gz OALFNBZKLLIZBW-OAGGEKHMSA-N 2 2 316.449 2.224 20 30 DEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097318278 788058629 /nfs/dbraw/zinc/05/86/29/788058629.db2.gz OALFNBZKLLIZBW-OAGGEKHMSA-N 2 2 316.449 2.224 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874567 788216033 /nfs/dbraw/zinc/21/60/33/788216033.db2.gz JQRSLNTVFOKQCS-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874567 788216038 /nfs/dbraw/zinc/21/60/38/788216038.db2.gz JQRSLNTVFOKQCS-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021582 788254102 /nfs/dbraw/zinc/25/41/02/788254102.db2.gz QXMJRIOIFSAONE-HIFRSBDPSA-N 2 2 324.856 2.100 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743908 789060660 /nfs/dbraw/zinc/06/06/60/789060660.db2.gz FPSSGVIMMMFLGT-HUUCEWRRSA-N 2 2 319.449 2.472 20 30 DEEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680519 789444219 /nfs/dbraw/zinc/44/42/19/789444219.db2.gz WSHYAPJRUSNHFS-GJZGRUSLSA-N 2 2 314.433 2.244 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510733 789750549 /nfs/dbraw/zinc/75/05/49/789750549.db2.gz FSXAORKJNFYKMH-CZUORRHYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510733 789750553 /nfs/dbraw/zinc/75/05/53/789750553.db2.gz FSXAORKJNFYKMH-CZUORRHYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086951010 791862527 /nfs/dbraw/zinc/86/25/27/791862527.db2.gz QWFFIVMWKFGLRN-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092201181 791944228 /nfs/dbraw/zinc/94/42/28/791944228.db2.gz XWUXXRCVMXXTGR-KDOFPFPSSA-N 2 2 316.449 2.044 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092201181 791944232 /nfs/dbraw/zinc/94/42/32/791944232.db2.gz XWUXXRCVMXXTGR-KDOFPFPSSA-N 2 2 316.449 2.044 20 30 DEEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903221 791979721 /nfs/dbraw/zinc/97/97/21/791979721.db2.gz GHKYKPWJESELBS-KXBFYZLASA-N 2 2 322.412 2.171 20 30 DEEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903221 791979728 /nfs/dbraw/zinc/97/97/28/791979728.db2.gz GHKYKPWJESELBS-KXBFYZLASA-N 2 2 322.412 2.171 20 30 DEEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359538 792183178 /nfs/dbraw/zinc/18/31/78/792183178.db2.gz QQCMPNCRVRWVGO-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359538 792183185 /nfs/dbraw/zinc/18/31/85/792183185.db2.gz QQCMPNCRVRWVGO-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486671 793095191 /nfs/dbraw/zinc/09/51/91/793095191.db2.gz MVEWFELGSHBLBN-CQSZACIVSA-N 2 2 305.422 2.083 20 30 DEEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071899 793494120 /nfs/dbraw/zinc/49/41/20/793494120.db2.gz YNYMEDCERMHDAH-ZACQAIPSSA-N 2 2 318.465 2.340 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071899 793494123 /nfs/dbraw/zinc/49/41/23/793494123.db2.gz YNYMEDCERMHDAH-ZACQAIPSSA-N 2 2 318.465 2.340 20 30 DEEDLP CC[NH+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968247 793546494 /nfs/dbraw/zinc/54/64/94/793546494.db2.gz PPBCLLBDIXXUFM-GJZGRUSLSA-N 2 2 324.469 2.209 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103071013 793926699 /nfs/dbraw/zinc/92/66/99/793926699.db2.gz YFORYULDLMDVOB-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103071013 793926702 /nfs/dbraw/zinc/92/67/02/793926702.db2.gz YFORYULDLMDVOB-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103071013 793926708 /nfs/dbraw/zinc/92/67/08/793926708.db2.gz YFORYULDLMDVOB-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103071013 793926713 /nfs/dbraw/zinc/92/67/13/793926713.db2.gz YFORYULDLMDVOB-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175502444 794225474 /nfs/dbraw/zinc/22/54/74/794225474.db2.gz JDRNNGYKUIORON-JKSUJKDBSA-N 2 2 304.438 2.122 20 30 DEEDLP C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808342 795000934 /nfs/dbraw/zinc/00/09/34/795000934.db2.gz FEPMPYHYXSNQMA-UHFFFAOYSA-N 2 2 318.465 2.216 20 30 DEEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nn1 ZINC001118630129 795207944 /nfs/dbraw/zinc/20/79/44/795207944.db2.gz YMFSDNYDJLBGRC-OAHLLOKOSA-N 2 2 314.437 2.042 20 30 DEEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nn1 ZINC001118630129 795207947 /nfs/dbraw/zinc/20/79/47/795207947.db2.gz YMFSDNYDJLBGRC-OAHLLOKOSA-N 2 2 314.437 2.042 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183755517 795932762 /nfs/dbraw/zinc/93/27/62/795932762.db2.gz AERAFILIAAKNGC-ROUUACIJSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183755517 795932769 /nfs/dbraw/zinc/93/27/69/795932769.db2.gz AERAFILIAAKNGC-ROUUACIJSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183755517 795932776 /nfs/dbraw/zinc/93/27/76/795932776.db2.gz AERAFILIAAKNGC-ROUUACIJSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183755517 795932780 /nfs/dbraw/zinc/93/27/80/795932780.db2.gz AERAFILIAAKNGC-ROUUACIJSA-N 2 2 313.445 2.028 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533908 796077282 /nfs/dbraw/zinc/07/72/82/796077282.db2.gz HGPKLIFLHHSIHX-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533908 796077289 /nfs/dbraw/zinc/07/72/89/796077289.db2.gz HGPKLIFLHHSIHX-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184655346 796100950 /nfs/dbraw/zinc/10/09/50/796100950.db2.gz YRKSOPHBQNQDDO-HOCLYGCPSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185572113 796284800 /nfs/dbraw/zinc/28/48/00/796284800.db2.gz HDGYLVBRGLPOAK-HOCLYGCPSA-N 2 2 318.465 2.301 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420915 796534646 /nfs/dbraw/zinc/53/46/46/796534646.db2.gz RZTCCVHYTCRMKB-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnccc2C)CC1 ZINC001141037566 796623063 /nfs/dbraw/zinc/62/30/63/796623063.db2.gz XDIXFJKLGDGDCX-UHFFFAOYSA-N 2 2 314.477 2.182 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215521 796684689 /nfs/dbraw/zinc/68/46/89/796684689.db2.gz VLRBEMPOYLADOP-INIZCTEOSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757043 797061120 /nfs/dbraw/zinc/06/11/20/797061120.db2.gz ZUCOUCKMGJMQNO-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757043 797061127 /nfs/dbraw/zinc/06/11/27/797061127.db2.gz ZUCOUCKMGJMQNO-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757043 797061135 /nfs/dbraw/zinc/06/11/35/797061135.db2.gz ZUCOUCKMGJMQNO-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757043 797061141 /nfs/dbraw/zinc/06/11/41/797061141.db2.gz ZUCOUCKMGJMQNO-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293305 797356214 /nfs/dbraw/zinc/35/62/14/797356214.db2.gz HRLXRDJEKYDFHN-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293305 797356220 /nfs/dbraw/zinc/35/62/20/797356220.db2.gz HRLXRDJEKYDFHN-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449395 797726246 /nfs/dbraw/zinc/72/62/46/797726246.db2.gz SFSBADPHVQMDCE-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449395 797726248 /nfs/dbraw/zinc/72/62/48/797726248.db2.gz SFSBADPHVQMDCE-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155752139 797840594 /nfs/dbraw/zinc/84/05/94/797840594.db2.gz YYJDPTANQPIFJU-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155752139 797840600 /nfs/dbraw/zinc/84/06/00/797840600.db2.gz YYJDPTANQPIFJU-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155752139 797840606 /nfs/dbraw/zinc/84/06/06/797840606.db2.gz YYJDPTANQPIFJU-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155752139 797840613 /nfs/dbraw/zinc/84/06/13/797840613.db2.gz YYJDPTANQPIFJU-HUUCEWRRSA-N 2 2 306.454 2.381 20 30 DEEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149119 797933572 /nfs/dbraw/zinc/93/35/72/797933572.db2.gz BUZRXFIPDYOBOD-MRXNPFEDSA-N 2 2 324.428 2.336 20 30 DEEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149119 797933574 /nfs/dbraw/zinc/93/35/74/797933574.db2.gz BUZRXFIPDYOBOD-MRXNPFEDSA-N 2 2 324.428 2.336 20 30 DEEDLP C[NH+](C)C1(CNc2ccc(Cl)c(C#N)n2)CC[NH+](C)CC1 ZINC001156176754 797938831 /nfs/dbraw/zinc/93/88/31/797938831.db2.gz UCHRHBPCHSKKQQ-UHFFFAOYSA-N 2 2 307.829 2.045 20 30 DEEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243105 798030686 /nfs/dbraw/zinc/03/06/86/798030686.db2.gz TZYVJGGANUFEEJ-KRWDZBQOSA-N 2 2 316.449 2.028 20 30 DEEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243105 798030690 /nfs/dbraw/zinc/03/06/90/798030690.db2.gz TZYVJGGANUFEEJ-KRWDZBQOSA-N 2 2 316.449 2.028 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153264 798151118 /nfs/dbraw/zinc/15/11/18/798151118.db2.gz GKEZKKPEICGCHG-NVXWUHKLSA-N 2 2 318.465 2.087 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153264 798151120 /nfs/dbraw/zinc/15/11/20/798151120.db2.gz GKEZKKPEICGCHG-NVXWUHKLSA-N 2 2 318.465 2.087 20 30 DEEDLP C=C(Cl)C[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061577 798335439 /nfs/dbraw/zinc/33/54/39/798335439.db2.gz AAWBGGDWBFJLDV-UHFFFAOYSA-N 2 2 306.797 2.105 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511899 798351368 /nfs/dbraw/zinc/35/13/68/798351368.db2.gz YWFLQYHYJSOUMM-JJXSEGSLSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511899 798351374 /nfs/dbraw/zinc/35/13/74/798351374.db2.gz YWFLQYHYJSOUMM-JJXSEGSLSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277611 798374217 /nfs/dbraw/zinc/37/42/17/798374217.db2.gz YLUYHYUXCZXJNG-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277611 798374219 /nfs/dbraw/zinc/37/42/19/798374219.db2.gz YLUYHYUXCZXJNG-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP N#Cc1ccc2cc[nH+]c(NCc3ncn4c3C[NH2+]CCC4)c2c1 ZINC001158359835 798392751 /nfs/dbraw/zinc/39/27/51/798392751.db2.gz YKCYVNIYNZIXKM-UHFFFAOYSA-N 2 2 318.384 2.408 20 30 DEEDLP N#Cc1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1F ZINC001159084743 798519658 /nfs/dbraw/zinc/51/96/58/798519658.db2.gz UAKXUCXSMHYQHO-UHFFFAOYSA-N 2 2 311.364 2.114 20 30 DEEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821160 798746614 /nfs/dbraw/zinc/74/66/14/798746614.db2.gz ALZFYXSQWSNBNK-UHFFFAOYSA-N 2 2 316.449 2.378 20 30 DEEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821160 798746617 /nfs/dbraw/zinc/74/66/17/798746617.db2.gz ALZFYXSQWSNBNK-UHFFFAOYSA-N 2 2 316.449 2.378 20 30 DEEDLP COCCC1(CNc2[nH+]cc(C)cc2/C=N/O)CC[NH2+]CC1 ZINC001161502537 798873132 /nfs/dbraw/zinc/87/31/32/798873132.db2.gz DMQAZFQOMZLPME-RGVLZGJSSA-N 2 2 306.410 2.016 20 30 DEEDLP N#Cc1c[nH]c2cc[nH+]c(NCC[C@@H]3CC[NH2+]CC3(F)F)c12 ZINC001162813701 799182971 /nfs/dbraw/zinc/18/29/71/799182971.db2.gz YEZCPVYCNUYLRG-NSHDSACASA-N 2 2 305.332 2.481 20 30 DEEDLP Cc1[nH+]c2c(n1-c1ncc3c(c1C#N)CCCC3)CC[NH2+]CC2 ZINC001165357464 799713510 /nfs/dbraw/zinc/71/35/10/799713510.db2.gz ZVDWQHLTEYLFEF-UHFFFAOYSA-N 2 2 307.401 2.014 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660040 800102630 /nfs/dbraw/zinc/10/26/30/800102630.db2.gz NUDZKTVMKJVCQR-HZPDHXFCSA-N 2 2 316.449 2.244 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815701 800127217 /nfs/dbraw/zinc/12/72/17/800127217.db2.gz QLXXCTKWWSIPCF-JKSUJKDBSA-N 2 2 316.449 2.256 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001205000277 800283773 /nfs/dbraw/zinc/28/37/73/800283773.db2.gz CBZBRQQEIZCNLX-FUHWJXTLSA-N 2 2 321.465 2.239 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001205000277 800283777 /nfs/dbraw/zinc/28/37/77/800283777.db2.gz CBZBRQQEIZCNLX-FUHWJXTLSA-N 2 2 321.465 2.239 20 30 DEEDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(F)c1C#N ZINC001206201308 800489498 /nfs/dbraw/zinc/48/94/98/800489498.db2.gz WTXPHHHGHDDRCY-KGLIPLIRSA-N 2 2 308.376 2.025 20 30 DEEDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(F)c1C#N ZINC001206201308 800489499 /nfs/dbraw/zinc/48/94/99/800489499.db2.gz WTXPHHHGHDDRCY-KGLIPLIRSA-N 2 2 308.376 2.025 20 30 DEEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387178 800972351 /nfs/dbraw/zinc/97/23/51/800972351.db2.gz OPNOCNOMXUZJMN-DLBZAZTESA-N 2 2 316.449 2.074 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678039 801045067 /nfs/dbraw/zinc/04/50/67/801045067.db2.gz DPNXUYODFMSOHJ-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985648 801107537 /nfs/dbraw/zinc/10/75/37/801107537.db2.gz VVBQHRGBWFYDFI-BZUAXINKSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985648 801107541 /nfs/dbraw/zinc/10/75/41/801107541.db2.gz VVBQHRGBWFYDFI-BZUAXINKSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209200188 801149527 /nfs/dbraw/zinc/14/95/27/801149527.db2.gz ICSTWILPZBEIPH-SFHVURJKSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209200188 801149529 /nfs/dbraw/zinc/14/95/29/801149529.db2.gz ICSTWILPZBEIPH-SFHVURJKSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209200188 801149532 /nfs/dbraw/zinc/14/95/32/801149532.db2.gz ICSTWILPZBEIPH-SFHVURJKSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209200188 801149535 /nfs/dbraw/zinc/14/95/35/801149535.db2.gz ICSTWILPZBEIPH-SFHVURJKSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229300539 801253313 /nfs/dbraw/zinc/25/33/13/801253313.db2.gz BCKXGMPBZVUIDD-RBSFLKMASA-N 2 2 304.438 2.324 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993618 802041132 /nfs/dbraw/zinc/04/11/32/802041132.db2.gz MNUXRNBDVLAKJE-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418866189 1168020280 /nfs/dbraw/zinc/02/02/80/1168020280.db2.gz JTTRHANHEIWDSZ-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418866189 1168020289 /nfs/dbraw/zinc/02/02/89/1168020289.db2.gz JTTRHANHEIWDSZ-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP CC#CC[C@@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001574970677 1069313669 /nfs/dbraw/zinc/31/36/69/1069313669.db2.gz XYVYIFNHAWLQNT-TZMCWYRMSA-N 2 2 320.462 2.054 20 30 DEEDLP CC#CC[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001574970677 1069313676 /nfs/dbraw/zinc/31/36/76/1069313676.db2.gz XYVYIFNHAWLQNT-TZMCWYRMSA-N 2 2 320.462 2.054 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001368983128 1148817333 /nfs/dbraw/zinc/81/73/33/1148817333.db2.gz JULVYZZLOBWOIQ-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001368983128 1148817334 /nfs/dbraw/zinc/81/73/34/1148817334.db2.gz JULVYZZLOBWOIQ-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328734061 1148829340 /nfs/dbraw/zinc/82/93/40/1148829340.db2.gz VDJKJFXQHXIKNE-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328734061 1148829341 /nfs/dbraw/zinc/82/93/41/1148829341.db2.gz VDJKJFXQHXIKNE-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245978211 1140840278 /nfs/dbraw/zinc/84/02/78/1140840278.db2.gz KQNBXCMLDVUILQ-CVEARBPZSA-N 2 2 316.486 2.358 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001328785009 1148834954 /nfs/dbraw/zinc/83/49/54/1148834954.db2.gz FTMAYQORFGGFMW-QGZVFWFLSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001328785009 1148834955 /nfs/dbraw/zinc/83/49/55/1148834955.db2.gz FTMAYQORFGGFMW-QGZVFWFLSA-N 2 2 318.465 2.242 20 30 DEEDLP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479737973 1061662356 /nfs/dbraw/zinc/66/23/56/1061662356.db2.gz RFMRSDMNFDCKMO-IRXDYDNUSA-N 2 2 316.449 2.170 20 30 DEEDLP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479737973 1061662368 /nfs/dbraw/zinc/66/23/68/1061662368.db2.gz RFMRSDMNFDCKMO-IRXDYDNUSA-N 2 2 316.449 2.170 20 30 DEEDLP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001479831929 1061861145 /nfs/dbraw/zinc/86/11/45/1061861145.db2.gz PXHYQHCHTPGCLY-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP 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C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1CCC1 ZINC000083821774 355471265 /nfs/dbraw/zinc/47/12/65/355471265.db2.gz JBONSBUOVGQJOY-UHFFFAOYSA-N 2 2 315.396 2.477 20 30 DEEDLP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598719343 359304551 /nfs/dbraw/zinc/30/45/51/359304551.db2.gz JLKNFCCYHVCXQN-NVXWUHKLSA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598719343 359304553 /nfs/dbraw/zinc/30/45/53/359304553.db2.gz JLKNFCCYHVCXQN-NVXWUHKLSA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000602565100 360436188 /nfs/dbraw/zinc/43/61/88/360436188.db2.gz PNYBLQPTGSFAIX-ZBFHGGJFSA-N 2 2 311.495 2.112 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602547415 360427077 /nfs/dbraw/zinc/42/70/77/360427077.db2.gz YMQJCMNCUOKDJS-YJBOKZPZSA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602547415 360427080 /nfs/dbraw/zinc/42/70/80/360427080.db2.gz YMQJCMNCUOKDJS-YJBOKZPZSA-N 2 2 316.449 2.180 20 30 DEEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610677298 361444420 /nfs/dbraw/zinc/44/44/20/361444420.db2.gz HQCFJVCTDREMTK-VQIMIIECSA-N 2 2 312.461 2.399 20 30 DEEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610677298 361444425 /nfs/dbraw/zinc/44/44/25/361444425.db2.gz HQCFJVCTDREMTK-VQIMIIECSA-N 2 2 312.461 2.399 20 30 DEEDLP CCC#C[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711824 542194721 /nfs/dbraw/zinc/19/47/21/542194721.db2.gz QZSIVNIUNQJYCA-IEBWSBKVSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711824 542194724 /nfs/dbraw/zinc/19/47/24/542194724.db2.gz QZSIVNIUNQJYCA-IEBWSBKVSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711824 542194727 /nfs/dbraw/zinc/19/47/27/542194727.db2.gz QZSIVNIUNQJYCA-IEBWSBKVSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711824 542194732 /nfs/dbraw/zinc/19/47/32/542194732.db2.gz QZSIVNIUNQJYCA-IEBWSBKVSA-N 2 2 300.446 2.357 20 30 DEEDLP CSc1ccc([C@H](CNC2=[NH+]CCCN2C)[NH+](C)C)cc1 ZINC000263169433 533005851 /nfs/dbraw/zinc/00/58/51/533005851.db2.gz RTLISRZTUYYTDT-HNNXBMFYSA-N 2 2 306.479 2.292 20 30 DEEDLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692916 221157967 /nfs/dbraw/zinc/15/79/67/221157967.db2.gz DXZNZMFOIOLVCX-KBXCAEBGSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692916 221157969 /nfs/dbraw/zinc/15/79/69/221157969.db2.gz DXZNZMFOIOLVCX-KBXCAEBGSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692916 221157970 /nfs/dbraw/zinc/15/79/70/221157970.db2.gz DXZNZMFOIOLVCX-KBXCAEBGSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692916 221157973 /nfs/dbraw/zinc/15/79/73/221157973.db2.gz DXZNZMFOIOLVCX-KBXCAEBGSA-N 2 2 301.434 2.396 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1F ZINC000374422707 148244805 /nfs/dbraw/zinc/24/48/05/148244805.db2.gz SLTJJQFTASBARW-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1F ZINC000374422707 148244807 /nfs/dbraw/zinc/24/48/07/148244807.db2.gz SLTJJQFTASBARW-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000130993470 401842045 /nfs/dbraw/zinc/84/20/45/401842045.db2.gz KZZVKSYVRGJIFO-GOSISDBHSA-N 2 2 316.445 2.406 20 30 DEEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000130993470 401842048 /nfs/dbraw/zinc/84/20/48/401842048.db2.gz KZZVKSYVRGJIFO-GOSISDBHSA-N 2 2 316.445 2.406 20 30 DEEDLP CCN(CC)c1ccc(/C=[NH+]/CC[N@@H+]2CCCOCC2)c(O)c1 ZINC000187741782 402510238 /nfs/dbraw/zinc/51/02/38/402510238.db2.gz YCHASOCRELONDV-XDJHFCHBSA-N 2 2 319.449 2.380 20 30 DEEDLP CCN(CC)c1ccc(/C=[NH+]/CC[N@H+]2CCCOCC2)c(O)c1 ZINC000187741782 402510239 /nfs/dbraw/zinc/51/02/39/402510239.db2.gz YCHASOCRELONDV-XDJHFCHBSA-N 2 2 319.449 2.380 20 30 DEEDLP CC1(C)C[N@H+](CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCO1 ZINC000170912894 402541155 /nfs/dbraw/zinc/54/11/55/402541155.db2.gz NTKOLSNGWMHIBN-UHFFFAOYSA-N 2 2 316.449 2.013 20 30 DEEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCO1 ZINC000170912894 402541158 /nfs/dbraw/zinc/54/11/58/402541158.db2.gz NTKOLSNGWMHIBN-UHFFFAOYSA-N 2 2 316.449 2.013 20 30 DEEDLP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)NC1CCCCCC1 ZINC000179859846 402602520 /nfs/dbraw/zinc/60/25/20/402602520.db2.gz SUKUJBJCRWMTPS-UHFFFAOYSA-N 2 2 312.421 2.394 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267440807 403039218 /nfs/dbraw/zinc/03/92/18/403039218.db2.gz OXRLFHBHZXZFFF-LSDHHAIUSA-N 2 2 304.438 2.402 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267440807 403039219 /nfs/dbraw/zinc/03/92/19/403039219.db2.gz OXRLFHBHZXZFFF-LSDHHAIUSA-N 2 2 304.438 2.402 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000280988419 403056243 /nfs/dbraw/zinc/05/62/43/403056243.db2.gz LPZGQELLEOWMBU-UHFFFAOYSA-N 2 2 313.405 2.496 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347128170 403616866 /nfs/dbraw/zinc/61/68/66/403616866.db2.gz WNAMVBLEIHLOSW-DOTOQJQBSA-N 2 2 315.417 2.124 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347128170 403616872 /nfs/dbraw/zinc/61/68/72/403616872.db2.gz WNAMVBLEIHLOSW-DOTOQJQBSA-N 2 2 315.417 2.124 20 30 DEEDLP C[N@H+](CCC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347209315 403623790 /nfs/dbraw/zinc/62/37/90/403623790.db2.gz TUHPAOMILWPKLD-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP C[N@@H+](CCC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347209315 403623792 /nfs/dbraw/zinc/62/37/92/403623792.db2.gz TUHPAOMILWPKLD-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](CCC(C)(C)C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000347209315 403623795 /nfs/dbraw/zinc/62/37/95/403623795.db2.gz TUHPAOMILWPKLD-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](CCC(C)(C)C#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000347209315 403623799 /nfs/dbraw/zinc/62/37/99/403623799.db2.gz TUHPAOMILWPKLD-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP CC1CCN(C(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000304705224 403799066 /nfs/dbraw/zinc/79/90/66/403799066.db2.gz KOILXIUHBBUONO-UHFFFAOYSA-N 2 2 306.429 2.304 20 30 DEEDLP CC1CCN(C(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000304705224 403799069 /nfs/dbraw/zinc/79/90/69/403799069.db2.gz KOILXIUHBBUONO-UHFFFAOYSA-N 2 2 306.429 2.304 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873778 404070489 /nfs/dbraw/zinc/07/04/89/404070489.db2.gz ZQXPNHLOSJMMEX-ZVZYQTTQSA-N 2 2 315.417 2.103 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873778 404070496 /nfs/dbraw/zinc/07/04/96/404070496.db2.gz ZQXPNHLOSJMMEX-ZVZYQTTQSA-N 2 2 315.417 2.103 20 30 DEEDLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000329701890 404427801 /nfs/dbraw/zinc/42/78/01/404427801.db2.gz HQEYXNITWSPFDE-CQSZACIVSA-N 2 2 319.453 2.193 20 30 DEEDLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000329701890 404427808 /nfs/dbraw/zinc/42/78/08/404427808.db2.gz HQEYXNITWSPFDE-CQSZACIVSA-N 2 2 319.453 2.193 20 30 DEEDLP CCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000414088832 404509390 /nfs/dbraw/zinc/50/93/90/404509390.db2.gz BMCQACIXABOLGJ-AWEZNQCLSA-N 2 2 300.406 2.195 20 30 DEEDLP CCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000414088832 404509393 /nfs/dbraw/zinc/50/93/93/404509393.db2.gz BMCQACIXABOLGJ-AWEZNQCLSA-N 2 2 300.406 2.195 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000374425870 404706677 /nfs/dbraw/zinc/70/66/77/404706677.db2.gz AEXARQPRWOGMLV-QYZOEREBSA-N 2 2 316.420 2.361 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000374425870 404706680 /nfs/dbraw/zinc/70/66/80/404706680.db2.gz AEXARQPRWOGMLV-QYZOEREBSA-N 2 2 316.420 2.361 20 30 DEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449549429 405608609 /nfs/dbraw/zinc/60/86/09/405608609.db2.gz XWYKDUCEELQTGP-MSOLQXFVSA-N 2 2 301.434 2.369 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638847133 405711556 /nfs/dbraw/zinc/71/15/56/405711556.db2.gz LTZGZPNOAYSSSU-WMZOPIPTSA-N 2 2 313.445 2.246 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638847133 405711559 /nfs/dbraw/zinc/71/15/59/405711559.db2.gz LTZGZPNOAYSSSU-WMZOPIPTSA-N 2 2 313.445 2.246 20 30 DEEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367102 405780759 /nfs/dbraw/zinc/78/07/59/405780759.db2.gz CXQWLDDJYHVGPU-DNVCBOLYSA-N 3 2 312.461 2.253 20 30 DEEDLP C=CCc1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc(OC)c1O ZINC000634733852 406253376 /nfs/dbraw/zinc/25/33/76/406253376.db2.gz PRRKTCJWJMWIJK-QAPCUYQASA-N 2 2 302.418 2.361 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575878289 406827251 /nfs/dbraw/zinc/82/72/51/406827251.db2.gz DKLVQJNWZBRECM-HUUCEWRRSA-N 2 2 304.438 2.023 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575878289 406827255 /nfs/dbraw/zinc/82/72/55/406827255.db2.gz DKLVQJNWZBRECM-HUUCEWRRSA-N 2 2 304.438 2.023 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651700890 425143981 /nfs/dbraw/zinc/14/39/81/425143981.db2.gz YCFDARYEXDGZJS-UHFFFAOYSA-N 2 2 311.433 2.397 20 30 DEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccco1 ZINC000262093700 526359589 /nfs/dbraw/zinc/35/95/89/526359589.db2.gz HJVYWBBKFOAWMU-UHFFFAOYSA-N 2 2 318.446 2.064 20 30 DEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccco1 ZINC000262093700 526359598 /nfs/dbraw/zinc/35/95/98/526359598.db2.gz HJVYWBBKFOAWMU-UHFFFAOYSA-N 2 2 318.446 2.064 20 30 DEEDLP C=CCNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887386 526387891 /nfs/dbraw/zinc/38/78/91/526387891.db2.gz AJYKGSMNYMLDLW-CYBMUJFWSA-N 2 2 314.355 2.398 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264037221 526414796 /nfs/dbraw/zinc/41/47/96/526414796.db2.gz GWXWZNBVSYSSAK-INIZCTEOSA-N 2 2 300.406 2.248 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341513478 527038811 /nfs/dbraw/zinc/03/88/11/527038811.db2.gz KMCLEAWQXLXBJP-OAHLLOKOSA-N 2 2 310.486 2.009 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341513478 527038813 /nfs/dbraw/zinc/03/88/13/527038813.db2.gz KMCLEAWQXLXBJP-OAHLLOKOSA-N 2 2 310.486 2.009 20 30 DEEDLP C=CCCCCCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340256591 527123821 /nfs/dbraw/zinc/12/38/21/527123821.db2.gz YRDZSCWMRPTNOC-UHFFFAOYSA-N 2 2 324.513 2.400 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000264091434 529176357 /nfs/dbraw/zinc/17/63/57/529176357.db2.gz KYXBNWBGMBXQKJ-KRWDZBQOSA-N 2 2 318.465 2.332 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007593701 625387757 /nfs/dbraw/zinc/38/77/57/625387757.db2.gz FUIXZWULMCFWBJ-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007593701 625387758 /nfs/dbraw/zinc/38/77/58/625387758.db2.gz FUIXZWULMCFWBJ-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970681045 623613640 /nfs/dbraw/zinc/61/36/40/623613640.db2.gz FVKJOMHTSDEEFG-OAHLLOKOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632630 623863238 /nfs/dbraw/zinc/86/32/38/623863238.db2.gz LRJXICQZYWJRPX-HOTGVXAUSA-N 2 2 324.428 2.447 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632630 623863250 /nfs/dbraw/zinc/86/32/50/623863250.db2.gz LRJXICQZYWJRPX-HOTGVXAUSA-N 2 2 324.428 2.447 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449039 633803002 /nfs/dbraw/zinc/80/30/02/633803002.db2.gz PPHWRALTYVVGCP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449039 633803007 /nfs/dbraw/zinc/80/30/07/633803007.db2.gz PPHWRALTYVVGCP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449039 633803013 /nfs/dbraw/zinc/80/30/13/633803013.db2.gz PPHWRALTYVVGCP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449039 633803017 /nfs/dbraw/zinc/80/30/17/633803017.db2.gz PPHWRALTYVVGCP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001027461768 633829398 /nfs/dbraw/zinc/82/93/98/633829398.db2.gz PBAYONPTURQYFK-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001027461768 633829400 /nfs/dbraw/zinc/82/94/00/633829400.db2.gz PBAYONPTURQYFK-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997754043 633964189 /nfs/dbraw/zinc/96/41/89/633964189.db2.gz XMBTYKQSJSHWKT-ZFWWWQNUSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913776 634955331 /nfs/dbraw/zinc/95/53/31/634955331.db2.gz OKOYWDRSPXFDFV-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913776 634955332 /nfs/dbraw/zinc/95/53/32/634955332.db2.gz OKOYWDRSPXFDFV-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981770961 635643453 /nfs/dbraw/zinc/64/34/53/635643453.db2.gz INMRMCHGWKXFLB-UHFFFAOYSA-N 2 2 324.428 2.367 20 30 DEEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981770961 635643456 /nfs/dbraw/zinc/64/34/56/635643456.db2.gz INMRMCHGWKXFLB-UHFFFAOYSA-N 2 2 324.428 2.367 20 30 DEEDLP C=CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981838977 635681024 /nfs/dbraw/zinc/68/10/24/635681024.db2.gz KQHLMRVWEUOXGF-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981838977 635681026 /nfs/dbraw/zinc/68/10/26/635681026.db2.gz KQHLMRVWEUOXGF-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028331750 636132762 /nfs/dbraw/zinc/13/27/62/636132762.db2.gz KJYMXHVTAOMMBS-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028331750 636132763 /nfs/dbraw/zinc/13/27/63/636132763.db2.gz KJYMXHVTAOMMBS-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028331750 636132768 /nfs/dbraw/zinc/13/27/68/636132768.db2.gz KJYMXHVTAOMMBS-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028331750 636132769 /nfs/dbraw/zinc/13/27/69/636132769.db2.gz KJYMXHVTAOMMBS-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004425110 636432092 /nfs/dbraw/zinc/43/20/92/636432092.db2.gz MMZOVMOYRYCUQU-INIZCTEOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004425110 636432093 /nfs/dbraw/zinc/43/20/93/636432093.db2.gz MMZOVMOYRYCUQU-INIZCTEOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797682 636745222 /nfs/dbraw/zinc/74/52/22/636745222.db2.gz QCZBZPQXYOBHNN-CABCVRRESA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797682 636745225 /nfs/dbraw/zinc/74/52/25/636745225.db2.gz QCZBZPQXYOBHNN-CABCVRRESA-N 2 2 316.449 2.234 20 30 DEEDLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC(C)(C)C#N)nc[nH+]1 ZINC000925372596 637030285 /nfs/dbraw/zinc/03/02/85/637030285.db2.gz XJQSOALNZCQKOO-KGLIPLIRSA-N 2 2 316.453 2.405 20 30 DEEDLP C#CC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000895812344 638210902 /nfs/dbraw/zinc/21/09/02/638210902.db2.gz PZPBVUKZEDZSRI-UHFFFAOYSA-N 2 2 323.238 2.365 20 30 DEEDLP C=C1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896326041 638463197 /nfs/dbraw/zinc/46/31/97/638463197.db2.gz VTBMVZNMBBPVNH-INIZCTEOSA-N 2 2 305.466 2.018 20 30 DEEDLP C=C1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896326041 638463206 /nfs/dbraw/zinc/46/32/06/638463206.db2.gz VTBMVZNMBBPVNH-INIZCTEOSA-N 2 2 305.466 2.018 20 30 DEEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000611438585 640658544 /nfs/dbraw/zinc/65/85/44/640658544.db2.gz NSHIDRNUQUOXJC-UHFFFAOYSA-N 2 2 309.417 2.344 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988841878 640673018 /nfs/dbraw/zinc/67/30/18/640673018.db2.gz CLPGUNDPFIODFD-CJNGLKHVSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988841867 640673074 /nfs/dbraw/zinc/67/30/74/640673074.db2.gz CLPGUNDPFIODFD-BBRMVZONSA-N 2 2 312.417 2.411 20 30 DEEDLP CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000769773887 641288003 /nfs/dbraw/zinc/28/80/03/641288003.db2.gz LKNKECWXFNCKKN-QLGLKNNMSA-N 2 2 319.449 2.376 20 30 DEEDLP CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000769773887 641288010 /nfs/dbraw/zinc/28/80/10/641288010.db2.gz LKNKECWXFNCKKN-QLGLKNNMSA-N 2 2 319.449 2.376 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809623198 646249812 /nfs/dbraw/zinc/24/98/12/646249812.db2.gz RAMHZKYXLZGTGR-OAQYLSRUSA-N 2 2 320.436 2.395 20 30 DEEDLP C#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809623198 646249815 /nfs/dbraw/zinc/24/98/15/646249815.db2.gz RAMHZKYXLZGTGR-OAQYLSRUSA-N 2 2 320.436 2.395 20 30 DEEDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CCC[NH2+]1 ZINC000817973003 647397941 /nfs/dbraw/zinc/39/79/41/647397941.db2.gz BALOJDMAAZAOJJ-PBHICJAKSA-N 2 2 303.406 2.008 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993399350 647648741 /nfs/dbraw/zinc/64/87/41/647648741.db2.gz SSQMEONJHXOFQI-DZGCQCFKSA-N 2 2 319.474 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993399350 647648742 /nfs/dbraw/zinc/64/87/42/647648742.db2.gz SSQMEONJHXOFQI-DZGCQCFKSA-N 2 2 319.474 2.026 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942173696 649174830 /nfs/dbraw/zinc/17/48/30/649174830.db2.gz RCZNMQVDKRTWES-HOCLYGCPSA-N 2 2 317.433 2.035 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942173696 649174832 /nfs/dbraw/zinc/17/48/32/649174832.db2.gz RCZNMQVDKRTWES-HOCLYGCPSA-N 2 2 317.433 2.035 20 30 DEEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845497912 651249119 /nfs/dbraw/zinc/24/91/19/651249119.db2.gz PIAQXFGZHMLFCE-OAHLLOKOSA-N 2 2 317.433 2.039 20 30 DEEDLP CCN(CC)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)c(O)c1 ZINC000848417912 651457600 /nfs/dbraw/zinc/45/76/00/651457600.db2.gz GWGWCUGFDBBGDV-UHFFFAOYSA-N 2 2 315.421 2.449 20 30 DEEDLP CCOc1ccc(O)c(/C=N\[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000849169988 651616389 /nfs/dbraw/zinc/61/63/89/651616389.db2.gz JWGDWMDDOXWJOA-CCNLRRDASA-N 2 2 321.465 2.482 20 30 DEEDLP CCOc1ccc(O)c(/C=N\[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000849169988 651616393 /nfs/dbraw/zinc/61/63/93/651616393.db2.gz JWGDWMDDOXWJOA-CCNLRRDASA-N 2 2 321.465 2.482 20 30 DEEDLP C[N@H+](CCNC(=[NH2+])N1CCCCCC1)Cc1ccc(F)cc1 ZINC000305090162 685272916 /nfs/dbraw/zinc/27/29/16/685272916.db2.gz WKKSNFXBGFPIDZ-UHFFFAOYSA-N 2 2 306.429 2.448 20 30 DEEDLP C[N@@H+](CCNC(=[NH2+])N1CCCCCC1)Cc1ccc(F)cc1 ZINC000305090162 685272922 /nfs/dbraw/zinc/27/29/22/685272922.db2.gz WKKSNFXBGFPIDZ-UHFFFAOYSA-N 2 2 306.429 2.448 20 30 DEEDLP COc1cccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+](C)C)c1 ZINC000104155465 684058668 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LYELVWRAKZFPBK-UHFFFAOYSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121842223 795693946 /nfs/dbraw/zinc/69/39/46/795693946.db2.gz ZUQQRJYEQLUVKX-JFPDKAJLSA-N 2 2 316.449 2.427 20 30 DEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183304722 795849425 /nfs/dbraw/zinc/84/94/25/795849425.db2.gz ZFQWKUUXYIOZCW-CRAIPNDOSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905440 796150140 /nfs/dbraw/zinc/15/01/40/796150140.db2.gz VMFXFWXXDPEBNM-HIFRSBDPSA-N 2 2 324.856 2.100 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202855887 796259724 /nfs/dbraw/zinc/25/97/24/796259724.db2.gz JJLSGKBOVVWUHO-GJZGRUSLSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185595003 796290672 /nfs/dbraw/zinc/29/06/72/796290672.db2.gz NGYYLJOOQUXLRG-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP 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LTCMTJCWMPJDOF-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209200187 801149000 /nfs/dbraw/zinc/14/90/00/801149000.db2.gz ICSTWILPZBEIPH-GOSISDBHSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209200187 801149003 /nfs/dbraw/zinc/14/90/03/801149003.db2.gz ICSTWILPZBEIPH-GOSISDBHSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209200187 801149007 /nfs/dbraw/zinc/14/90/07/801149007.db2.gz ICSTWILPZBEIPH-GOSISDBHSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209200187 801149011 /nfs/dbraw/zinc/14/90/11/801149011.db2.gz ICSTWILPZBEIPH-GOSISDBHSA-N 2 2 310.482 2.404 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216564690 801991063 /nfs/dbraw/zinc/99/10/63/801991063.db2.gz CLDXGSMZXDHQTL-RHSMWYFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cccc(C#N)c1 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C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001570086490 1065918900 /nfs/dbraw/zinc/91/89/00/1065918900.db2.gz PRGTZHAZHGIIDX-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001570183626 1065959693 /nfs/dbraw/zinc/95/96/93/1065959693.db2.gz OCHXKEDCFCCCBU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001570183626 1065959701 /nfs/dbraw/zinc/95/97/01/1065959701.db2.gz OCHXKEDCFCCCBU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001570183626 1065959707 /nfs/dbraw/zinc/95/97/07/1065959707.db2.gz OCHXKEDCFCCCBU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001570183626 1065959714 /nfs/dbraw/zinc/95/97/14/1065959714.db2.gz OCHXKEDCFCCCBU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001571626967 1068447867 /nfs/dbraw/zinc/44/78/67/1068447867.db2.gz LRIRSFLGOOGFSR-HOCLYGCPSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001267333021 1078771672 /nfs/dbraw/zinc/77/16/72/1078771672.db2.gz OIICUWJOWIZDTO-HZPDHXFCSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001267333021 1078771677 /nfs/dbraw/zinc/77/16/77/1078771677.db2.gz OIICUWJOWIZDTO-HZPDHXFCSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001267369888 1078799649 /nfs/dbraw/zinc/79/96/49/1078799649.db2.gz IXRBRBTVWFBFSX-QGZVFWFLSA-N 2 2 312.417 2.366 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566750 1079001751 /nfs/dbraw/zinc/00/17/51/1079001751.db2.gz GNMZPYWLRILLAW-HNNXBMFYSA-N 2 2 304.438 2.055 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001481019079 1079069324 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ZINC001284686867 1145890276 /nfs/dbraw/zinc/89/02/76/1145890276.db2.gz YPGHIRCAEKFMOQ-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001284686867 1145890278 /nfs/dbraw/zinc/89/02/78/1145890278.db2.gz YPGHIRCAEKFMOQ-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001317139407 1147665292 /nfs/dbraw/zinc/66/52/92/1147665292.db2.gz ZGABGUYDDMPTDE-MRXNPFEDSA-N 2 2 304.438 2.068 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001317139407 1147665294 /nfs/dbraw/zinc/66/52/94/1147665294.db2.gz ZGABGUYDDMPTDE-MRXNPFEDSA-N 2 2 304.438 2.068 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317792037 1147752705 /nfs/dbraw/zinc/75/27/05/1147752705.db2.gz HAQULMOKNXCRGU-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317792037 1147752707 /nfs/dbraw/zinc/75/27/07/1147752707.db2.gz HAQULMOKNXCRGU-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317862703 1147759090 /nfs/dbraw/zinc/75/90/90/1147759090.db2.gz WQKZFGRPCFMJAG-INIZCTEOSA-N 2 2 318.465 2.099 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317862703 1147759091 /nfs/dbraw/zinc/75/90/91/1147759091.db2.gz WQKZFGRPCFMJAG-INIZCTEOSA-N 2 2 318.465 2.099 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318261318 1147805496 /nfs/dbraw/zinc/80/54/96/1147805496.db2.gz YKSMOFLPNAFXQE-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318261318 1147805498 /nfs/dbraw/zinc/80/54/98/1147805498.db2.gz YKSMOFLPNAFXQE-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324970615 1147862730 /nfs/dbraw/zinc/86/27/30/1147862730.db2.gz AQDJIRIURNWMRX-QGZVFWFLSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324970615 1147862731 /nfs/dbraw/zinc/86/27/31/1147862731.db2.gz AQDJIRIURNWMRX-QGZVFWFLSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001325413674 1147903411 /nfs/dbraw/zinc/90/34/11/1147903411.db2.gz CBFNQXLBUDCDPN-HZPDHXFCSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001325600058 1147958931 /nfs/dbraw/zinc/95/89/31/1147958931.db2.gz XOLKXTCLIIGDLJ-SJORKVTESA-N 2 2 318.465 2.314 20 30 DEEDLP Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)c(C#N)c[nH+]1 ZINC000579346334 356960467 /nfs/dbraw/zinc/96/04/67/356960467.db2.gz NLKOWJXGVLFPMF-UHFFFAOYSA-N 2 2 314.433 2.131 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000591501532 357731156 /nfs/dbraw/zinc/73/11/56/357731156.db2.gz LMGHRKGODOBXAU-KRWDZBQOSA-N 2 2 317.408 2.430 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(C)(C)C#N)c2cc1C ZINC000591759587 357757629 /nfs/dbraw/zinc/75/76/29/357757629.db2.gz ONINFLGCDHTWQN-AWEZNQCLSA-N 2 2 300.406 2.153 20 30 DEEDLP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593704172 358127780 /nfs/dbraw/zinc/12/77/80/358127780.db2.gz ZNEVHMLDVIZXFA-INIZCTEOSA-N 2 2 323.444 2.397 20 30 DEEDLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594441918 358272231 /nfs/dbraw/zinc/27/22/31/358272231.db2.gz YKJLCVYSAHJEJU-OAHLLOKOSA-N 2 2 311.389 2.437 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000594581094 358296762 /nfs/dbraw/zinc/29/67/62/358296762.db2.gz NMHSWKPVCSIZEF-MJGOQNOKSA-N 3 2 312.461 2.382 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000594581093 358296925 /nfs/dbraw/zinc/29/69/25/358296925.db2.gz NMHSWKPVCSIZEF-IEBWSBKVSA-N 3 2 312.461 2.382 20 30 DEEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594500712 358284171 /nfs/dbraw/zinc/28/41/71/358284171.db2.gz SFLYSBSNJKIBHL-MJGOQNOKSA-N 2 2 311.429 2.388 20 30 DEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCCC#N)c2)CC1 ZINC000601805332 360155246 /nfs/dbraw/zinc/15/52/46/360155246.db2.gz NJJRNTSDBSNRCW-UHFFFAOYSA-N 2 2 315.421 2.246 20 30 DEEDLP C=CC[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631074561 368003085 /nfs/dbraw/zinc/00/30/85/368003085.db2.gz CMMXOUCDCGUBOH-INIZCTEOSA-N 2 2 304.434 2.452 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC000264924055 204273622 /nfs/dbraw/zinc/27/36/22/204273622.db2.gz KZJCFCLOAXKCBE-MRXNPFEDSA-N 2 2 304.438 2.088 20 30 DEEDLP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCc2sccc2C1 ZINC000262024035 533359962 /nfs/dbraw/zinc/35/99/62/533359962.db2.gz YYLCMRAEKYWFFG-LBPRGKRZSA-N 2 2 306.479 2.199 20 30 DEEDLP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@H+]1CCc2sccc2C1 ZINC000262024035 533359966 /nfs/dbraw/zinc/35/99/66/533359966.db2.gz YYLCMRAEKYWFFG-LBPRGKRZSA-N 2 2 306.479 2.199 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)c(F)c1 ZINC000192134697 145071819 /nfs/dbraw/zinc/07/18/19/145071819.db2.gz UKZKSCZKXWRROA-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)c(F)c1 ZINC000192134697 145071820 /nfs/dbraw/zinc/07/18/20/145071820.db2.gz UKZKSCZKXWRROA-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP COc1ccc(NC(=[NH2+])NCCc2cc[nH+]cc2C)cc1OC ZINC000162896276 402435732 /nfs/dbraw/zinc/43/57/32/402435732.db2.gz AIOUPHJRCDEREQ-UHFFFAOYSA-N 2 2 314.389 2.377 20 30 DEEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245680057 402478469 /nfs/dbraw/zinc/47/84/69/402478469.db2.gz OYVDBCGNIOQEMR-WMLDXEAASA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245680057 402478470 /nfs/dbraw/zinc/47/84/70/402478470.db2.gz OYVDBCGNIOQEMR-WMLDXEAASA-N 2 2 323.400 2.276 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171718691 402614192 /nfs/dbraw/zinc/61/41/92/402614192.db2.gz SHKJHIUGJVEEOC-UHFFFAOYSA-N 2 2 310.401 2.253 20 30 DEEDLP C#CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000181096970 402634940 /nfs/dbraw/zinc/63/49/40/402634940.db2.gz YLLKBAFGPSVPLX-WBVHZDCISA-N 2 2 303.475 2.248 20 30 DEEDLP C#CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000181096970 402634942 /nfs/dbraw/zinc/63/49/42/402634942.db2.gz YLLKBAFGPSVPLX-WBVHZDCISA-N 2 2 303.475 2.248 20 30 DEEDLP CC[C@](C)(CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272122447 402900278 /nfs/dbraw/zinc/90/02/78/402900278.db2.gz QNABDBYQRGARSC-GOSISDBHSA-N 2 2 301.434 2.273 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC000280529420 403010115 /nfs/dbraw/zinc/01/01/15/403010115.db2.gz NLAFBGXQJXTXNE-KRWDZBQOSA-N 2 2 318.465 2.168 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000332040151 403467572 /nfs/dbraw/zinc/46/75/72/403467572.db2.gz KMPPXTVOGGUWSK-MUQADHOPSA-N 2 2 315.465 2.475 20 30 DEEDLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000332040151 403467574 /nfs/dbraw/zinc/46/75/74/403467574.db2.gz KMPPXTVOGGUWSK-MUQADHOPSA-N 2 2 315.465 2.475 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070487 403750832 /nfs/dbraw/zinc/75/08/32/403750832.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070487 403750834 /nfs/dbraw/zinc/75/08/34/403750834.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070487 403750837 /nfs/dbraw/zinc/75/08/37/403750837.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070487 403750840 /nfs/dbraw/zinc/75/08/40/403750840.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 3 2 313.489 2.442 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000348103640 404040548 /nfs/dbraw/zinc/04/05/48/404040548.db2.gz OPPHVWCWMYWSPM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000348103640 404040556 /nfs/dbraw/zinc/04/05/56/404040556.db2.gz OPPHVWCWMYWSPM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000348103640 404040562 /nfs/dbraw/zinc/04/05/62/404040562.db2.gz OPPHVWCWMYWSPM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000348103640 404040568 /nfs/dbraw/zinc/04/05/68/404040568.db2.gz OPPHVWCWMYWSPM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000355447375 404335827 /nfs/dbraw/zinc/33/58/27/404335827.db2.gz SGWHHFMCJAWDNF-UHFFFAOYSA-N 2 2 319.493 2.408 20 30 DEEDLP C=CCCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000356585668 404605989 /nfs/dbraw/zinc/60/59/89/404605989.db2.gz AVHIBSRTUNXPOM-INIZCTEOSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000356585668 404605996 /nfs/dbraw/zinc/60/59/96/404605996.db2.gz AVHIBSRTUNXPOM-INIZCTEOSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000415050020 404796606 /nfs/dbraw/zinc/79/66/06/404796606.db2.gz YNNRVYQBNRPLEU-AWEZNQCLSA-N 2 2 310.825 2.373 20 30 DEEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439451155 405279434 /nfs/dbraw/zinc/27/94/34/405279434.db2.gz LUGBSXWGARBPCM-UHFFFAOYSA-N 2 2 315.808 2.267 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)n2c1 ZINC000449552731 405611043 /nfs/dbraw/zinc/61/10/43/405611043.db2.gz JWEOLLKWAQOLCD-VYDXJSESSA-N 2 2 310.401 2.189 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)n2c1 ZINC000449552731 405611051 /nfs/dbraw/zinc/61/10/51/405611051.db2.gz JWEOLLKWAQOLCD-VYDXJSESSA-N 2 2 310.401 2.189 20 30 DEEDLP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000588489707 405879245 /nfs/dbraw/zinc/87/92/45/405879245.db2.gz FODQCAHMJMWFMA-FFPCURRISA-N 2 2 313.445 2.439 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CC(C)(C)C#N)c2cc1C ZINC000433300378 405916188 /nfs/dbraw/zinc/91/61/88/405916188.db2.gz DVFIQBJMNVMKFV-OAHLLOKOSA-N 2 2 314.433 2.496 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CC(C)(C)C#N)c2cc1C ZINC000433300378 405916192 /nfs/dbraw/zinc/91/61/92/405916192.db2.gz DVFIQBJMNVMKFV-OAHLLOKOSA-N 2 2 314.433 2.496 20 30 DEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000564844914 406066218 /nfs/dbraw/zinc/06/62/18/406066218.db2.gz NQTLMTVEZYRZGY-SFHVURJKSA-N 2 2 312.417 2.052 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490914259 406506391 /nfs/dbraw/zinc/50/63/91/406506391.db2.gz GVTQQPOTAITLRX-QGZVFWFLSA-N 2 2 309.369 2.127 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490914259 406506395 /nfs/dbraw/zinc/50/63/95/406506395.db2.gz GVTQQPOTAITLRX-QGZVFWFLSA-N 2 2 309.369 2.127 20 30 DEEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCSCc1ccccc1C#N ZINC000422988313 230308149 /nfs/dbraw/zinc/30/81/49/230308149.db2.gz KJCSBIIMLMPRSN-WMLDXEAASA-N 2 2 319.474 2.148 20 30 DEEDLP C=CCOCCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656708652 425169490 /nfs/dbraw/zinc/16/94/90/425169490.db2.gz IQURRPVQXWAPRF-INIZCTEOSA-N 2 2 317.433 2.196 20 30 DEEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000653586772 425185171 /nfs/dbraw/zinc/18/51/71/425185171.db2.gz ANFFPJZBOOFCAQ-CRAIPNDOSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000653586772 425185172 /nfs/dbraw/zinc/18/51/72/425185172.db2.gz ANFFPJZBOOFCAQ-CRAIPNDOSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000653586772 425185176 /nfs/dbraw/zinc/18/51/76/425185176.db2.gz ANFFPJZBOOFCAQ-CRAIPNDOSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000653586772 425185178 /nfs/dbraw/zinc/18/51/78/425185178.db2.gz ANFFPJZBOOFCAQ-CRAIPNDOSA-N 2 2 315.465 2.303 20 30 DEEDLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000329886303 295389611 /nfs/dbraw/zinc/38/96/11/295389611.db2.gz VXLRKNLVSGWPJL-UHFFFAOYSA-N 2 2 320.437 2.334 20 30 DEEDLP C#CCC[NH2+]C[C@H](CCCC)NC(=O)c1cccc2[nH+]ccn21 ZINC001329887883 1149009846 /nfs/dbraw/zinc/00/98/46/1149009846.db2.gz PYXBAVFPNDANDM-HNNXBMFYSA-N 2 2 312.417 2.236 20 30 DEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2ccccc21 ZINC000263229171 526364877 /nfs/dbraw/zinc/36/48/77/526364877.db2.gz HQBQKJOLTLJPPV-UHFFFAOYSA-N 2 2 323.444 2.400 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261658807 526372912 /nfs/dbraw/zinc/37/29/12/526372912.db2.gz IBZPBUBKMKIHDK-PBHICJAKSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261658807 526372914 /nfs/dbraw/zinc/37/29/14/526372914.db2.gz IBZPBUBKMKIHDK-PBHICJAKSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000337186210 526505270 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C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373683402 1157261404 /nfs/dbraw/zinc/26/14/04/1157261404.db2.gz WGBDHOGIEXCLMW-HUUCEWRRSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373683402 1157261434 /nfs/dbraw/zinc/26/14/34/1157261434.db2.gz WGBDHOGIEXCLMW-HUUCEWRRSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419164833 1168277131 /nfs/dbraw/zinc/27/71/31/1168277131.db2.gz YCIAWCAULJESTF-KGLIPLIRSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001424795377 1173937638 /nfs/dbraw/zinc/93/76/38/1173937638.db2.gz TVESMTVPURIANQ-CHWSQXEVSA-N 2 2 312.845 2.162 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001443831240 1183151436 /nfs/dbraw/zinc/15/14/36/1183151436.db2.gz JDWZBRBFADUAJI-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001443831240 1183151445 /nfs/dbraw/zinc/15/14/45/1183151445.db2.gz JDWZBRBFADUAJI-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332184444 1149831343 /nfs/dbraw/zinc/83/13/43/1149831343.db2.gz IPWNOHOQAPGIMD-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332184444 1149831346 /nfs/dbraw/zinc/83/13/46/1149831346.db2.gz IPWNOHOQAPGIMD-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332184444 1149831349 /nfs/dbraw/zinc/83/13/49/1149831349.db2.gz IPWNOHOQAPGIMD-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332184444 1149831350 /nfs/dbraw/zinc/83/13/50/1149831350.db2.gz IPWNOHOQAPGIMD-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528859 777290794 /nfs/dbraw/zinc/29/07/94/777290794.db2.gz OLCHGPWGUVZMGC-CQSZACIVSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307374 777762329 /nfs/dbraw/zinc/76/23/29/777762329.db2.gz YUFDXIOGXYYCTK-OIISXLGYSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307374 777762346 /nfs/dbraw/zinc/76/23/46/777762346.db2.gz YUFDXIOGXYYCTK-OIISXLGYSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775508 778171825 /nfs/dbraw/zinc/17/18/25/778171825.db2.gz HIVWISVTNKMWFU-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775508 778171830 /nfs/dbraw/zinc/17/18/30/778171830.db2.gz HIVWISVTNKMWFU-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720064 779423044 /nfs/dbraw/zinc/42/30/44/779423044.db2.gz AZUGDKQTOJGPLF-IJEWVQPXSA-N 2 2 316.449 2.375 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720064 779423046 /nfs/dbraw/zinc/42/30/46/779423046.db2.gz AZUGDKQTOJGPLF-IJEWVQPXSA-N 2 2 316.449 2.375 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100933870 780466798 /nfs/dbraw/zinc/46/67/98/780466798.db2.gz AZWSSGUEIPJOAB-QQFBHYJXSA-N 2 2 318.465 2.192 20 30 DEEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085918450 784212861 /nfs/dbraw/zinc/21/28/61/784212861.db2.gz DFGWTBLWVOBFNY-ZWKOTPCHSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918450 784212868 /nfs/dbraw/zinc/21/28/68/784212868.db2.gz DFGWTBLWVOBFNY-ZWKOTPCHSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918450 784212873 /nfs/dbraw/zinc/21/28/73/784212873.db2.gz DFGWTBLWVOBFNY-ZWKOTPCHSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC 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785862795 /nfs/dbraw/zinc/86/27/95/785862795.db2.gz PNWBSHFNPHQWND-NPCUJANDSA-N 2 2 314.433 2.201 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419439 785862804 /nfs/dbraw/zinc/86/28/04/785862804.db2.gz PNWBSHFNPHQWND-NPCUJANDSA-N 2 2 314.433 2.201 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034954 786133557 /nfs/dbraw/zinc/13/35/57/786133557.db2.gz UYIJWMHOAUHEPA-IRWJRLHMSA-N 2 2 316.449 2.337 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034954 786133560 /nfs/dbraw/zinc/13/35/60/786133560.db2.gz UYIJWMHOAUHEPA-IRWJRLHMSA-N 2 2 316.449 2.337 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014592771 786651606 /nfs/dbraw/zinc/65/16/06/786651606.db2.gz DUWRRNRAHVKPFV-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014592771 786651618 /nfs/dbraw/zinc/65/16/18/786651618.db2.gz DUWRRNRAHVKPFV-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369872 788899085 /nfs/dbraw/zinc/89/90/85/788899085.db2.gz UAFANSOBLAHLAT-UONOGXRCSA-N 2 2 312.417 2.153 20 30 DEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097944 789196838 /nfs/dbraw/zinc/19/68/38/789196838.db2.gz RZIYSBPJPXAOCW-HOTGVXAUSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170895665 789642224 /nfs/dbraw/zinc/64/22/24/789642224.db2.gz SHGZKBRVFSORJU-OAHLLOKOSA-N 2 2 318.465 2.213 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010456 791665808 /nfs/dbraw/zinc/66/58/08/791665808.db2.gz DSHDXQFSIWGCQE-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010456 791665810 /nfs/dbraw/zinc/66/58/10/791665810.db2.gz DSHDXQFSIWGCQE-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418897 791748427 /nfs/dbraw/zinc/74/84/27/791748427.db2.gz XEDQUALEHRYOJU-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418897 791748431 /nfs/dbraw/zinc/74/84/31/791748431.db2.gz XEDQUALEHRYOJU-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418897 791748433 /nfs/dbraw/zinc/74/84/33/791748433.db2.gz XEDQUALEHRYOJU-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418897 791748436 /nfs/dbraw/zinc/74/84/36/791748436.db2.gz XEDQUALEHRYOJU-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171410368 792376733 /nfs/dbraw/zinc/37/67/33/792376733.db2.gz ULBNDXTVQZVLJG-SJORKVTESA-N 2 2 318.465 2.368 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293539 792570222 /nfs/dbraw/zinc/57/02/22/792570222.db2.gz YRDKKRNBEGOEMZ-WLYUNCDWSA-N 2 2 304.438 2.181 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918510 792918228 /nfs/dbraw/zinc/91/82/28/792918228.db2.gz ZQDJJDYLDRONDJ-LRVUVFPRSA-N 2 2 304.438 2.100 20 30 DEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171524990 793123839 /nfs/dbraw/zinc/12/38/39/793123839.db2.gz CAXBXAMERDVHQF-CQSZACIVSA-N 2 2 312.417 2.464 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444472 793164520 /nfs/dbraw/zinc/16/45/20/793164520.db2.gz BVJYJLUVJPTBLN-QAPCUYQASA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444472 793164524 /nfs/dbraw/zinc/16/45/24/793164524.db2.gz BVJYJLUVJPTBLN-QAPCUYQASA-N 2 2 316.449 2.007 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896493 793243773 /nfs/dbraw/zinc/24/37/73/793243773.db2.gz 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ZINC001316758978 1147595005 /nfs/dbraw/zinc/59/50/05/1147595005.db2.gz CHOLVMDZLIDHRV-SJORKVTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001316758978 1147595008 /nfs/dbraw/zinc/59/50/08/1147595008.db2.gz CHOLVMDZLIDHRV-SJORKVTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001316933298 1147634290 /nfs/dbraw/zinc/63/42/90/1147634290.db2.gz IGRSWZPFHNBUQG-OAHLLOKOSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317005088 1147647362 /nfs/dbraw/zinc/64/73/62/1147647362.db2.gz GLWFEVHYXVSOAH-OAHLLOKOSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317149910 1147666786 /nfs/dbraw/zinc/66/67/86/1147666786.db2.gz LKBXYMHQPJJAQD-IRXDYDNUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317482159 1147713910 /nfs/dbraw/zinc/71/39/10/1147713910.db2.gz QCIUKJNICHYFRV-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317482159 1147713911 /nfs/dbraw/zinc/71/39/11/1147713911.db2.gz QCIUKJNICHYFRV-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001368000971 1147824136 /nfs/dbraw/zinc/82/41/36/1147824136.db2.gz BEIYEHYRTNRJLS-UHFFFAOYSA-N 2 2 318.808 2.247 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325466010 1147918811 /nfs/dbraw/zinc/91/88/11/1147918811.db2.gz JXRHQEBHYLHVBO-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[N@H+]1CCc2c(CNC(=O)Cc3[nH]c[nH+]c3C)cccc2C1 ZINC001326673457 1148195901 /nfs/dbraw/zinc/19/59/01/1148195901.db2.gz AYCRBLVYGCSAHC-UHFFFAOYSA-N 2 2 324.428 2.121 20 30 DEEDLP C=CC[N@@H+]1CCc2c(CNC(=O)Cc3[nH]c[nH+]c3C)cccc2C1 ZINC001326673457 1148195905 /nfs/dbraw/zinc/19/59/05/1148195905.db2.gz AYCRBLVYGCSAHC-UHFFFAOYSA-N 2 2 324.428 2.121 20 30 DEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000614962691 362498933 /nfs/dbraw/zinc/49/89/33/362498933.db2.gz CLQLKJJTTYVHOV-VQIMIIECSA-N 2 2 312.461 2.331 20 30 DEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000614962691 362498938 /nfs/dbraw/zinc/49/89/38/362498938.db2.gz CLQLKJJTTYVHOV-VQIMIIECSA-N 2 2 312.461 2.331 20 30 DEEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595475817 358458836 /nfs/dbraw/zinc/45/88/36/358458836.db2.gz LJOLWNJYNTXYDV-IBGZPJMESA-N 2 2 313.445 2.145 20 30 DEEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000595475817 358458841 /nfs/dbraw/zinc/45/88/41/358458841.db2.gz LJOLWNJYNTXYDV-IBGZPJMESA-N 2 2 313.445 2.145 20 30 DEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595496617 358465297 /nfs/dbraw/zinc/46/52/97/358465297.db2.gz DXRILPGGXYQEAQ-MRXNPFEDSA-N 2 2 313.445 2.286 20 30 DEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595496617 358465300 /nfs/dbraw/zinc/46/53/00/358465300.db2.gz DXRILPGGXYQEAQ-MRXNPFEDSA-N 2 2 313.445 2.286 20 30 DEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630524 358506715 /nfs/dbraw/zinc/50/67/15/358506715.db2.gz YVDDOKVWXXSAQP-UHFFFAOYSA-N 2 2 315.446 2.108 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593323760 358054539 /nfs/dbraw/zinc/05/45/39/358054539.db2.gz WMSUNBDRAQJRBA-SFHVURJKSA-N 3 2 312.461 2.254 20 30 DEEDLP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323576 358054700 /nfs/dbraw/zinc/05/47/00/358054700.db2.gz QHIUJTQYVHAEOK-CABCVRRESA-N 3 2 300.450 2.238 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000598718833 359304635 /nfs/dbraw/zinc/30/46/35/359304635.db2.gz DFUAOYLCSFSAMR-ZDUSSCGKSA-N 2 2 300.406 2.386 20 30 DEEDLP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442719953 238067024 /nfs/dbraw/zinc/06/70/24/238067024.db2.gz QQGMMNSPYUWSBA-MSOLQXFVSA-N 2 2 312.461 2.481 20 30 DEEDLP C[C@@H](CCCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271896399 209304191 /nfs/dbraw/zinc/30/41/91/209304191.db2.gz UCLNZWWICSXMMR-HNNXBMFYSA-N 2 2 301.434 2.273 20 30 DEEDLP C=CCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631123754 368030820 /nfs/dbraw/zinc/03/08/20/368030820.db2.gz LLHJQWGROMPOBH-UHFFFAOYSA-N 2 2 304.434 2.453 20 30 DEEDLP CCC#C[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711826 542194616 /nfs/dbraw/zinc/19/46/16/542194616.db2.gz QZSIVNIUNQJYCA-PKOBYXMFSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711826 542194617 /nfs/dbraw/zinc/19/46/17/542194617.db2.gz QZSIVNIUNQJYCA-PKOBYXMFSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711826 542194619 /nfs/dbraw/zinc/19/46/19/542194619.db2.gz QZSIVNIUNQJYCA-PKOBYXMFSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711826 542194620 /nfs/dbraw/zinc/19/46/20/542194620.db2.gz QZSIVNIUNQJYCA-PKOBYXMFSA-N 2 2 300.446 2.357 20 30 DEEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000684207444 542572473 /nfs/dbraw/zinc/57/24/73/542572473.db2.gz PRUVUMKTYIAYDN-AEFFLSMTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000684207444 542572475 /nfs/dbraw/zinc/57/24/75/542572475.db2.gz PRUVUMKTYIAYDN-AEFFLSMTSA-N 2 2 303.450 2.474 20 30 DEEDLP C[C@@H]1CCCN(C(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000263117773 533634858 /nfs/dbraw/zinc/63/48/58/533634858.db2.gz GCEQZODJGUVKDZ-MRXNPFEDSA-N 2 2 322.497 2.068 20 30 DEEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000376557614 133300360 /nfs/dbraw/zinc/30/03/60/133300360.db2.gz KJJKRJAPHURTIN-MSOLQXFVSA-N 2 2 309.369 2.140 20 30 DEEDLP N#Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000564822893 292113043 /nfs/dbraw/zinc/11/30/43/292113043.db2.gz TUVSZYLMJWWPMZ-SFHVURJKSA-N 2 2 319.412 2.462 20 30 DEEDLP COCCC[N@H+](C)CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000127402643 401733409 /nfs/dbraw/zinc/73/34/09/401733409.db2.gz VMAPTXBALDSAKA-UHFFFAOYSA-N 2 2 301.434 2.168 20 30 DEEDLP COCCC[N@@H+](C)CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000127402643 401733411 /nfs/dbraw/zinc/73/34/11/401733411.db2.gz VMAPTXBALDSAKA-UHFFFAOYSA-N 2 2 301.434 2.168 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076004966 401777236 /nfs/dbraw/zinc/77/72/36/401777236.db2.gz CNVOSOQSMDHAPL-IRXDYDNUSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076004966 401777237 /nfs/dbraw/zinc/77/72/37/401777237.db2.gz CNVOSOQSMDHAPL-IRXDYDNUSA-N 2 2 309.498 2.463 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000104154902 402199571 /nfs/dbraw/zinc/19/95/71/402199571.db2.gz JTMXCBWCXGUNPF-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP N#Cc1cccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156366623 402280623 /nfs/dbraw/zinc/28/06/23/402280623.db2.gz NLSBRIGVUKQRQO-SFHVURJKSA-N 2 2 309.369 2.485 20 30 DEEDLP N#Cc1cccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156366623 402280625 /nfs/dbraw/zinc/28/06/25/402280625.db2.gz NLSBRIGVUKQRQO-SFHVURJKSA-N 2 2 309.369 2.485 20 30 DEEDLP Cc1ccc(C#N)c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000160949428 402366345 /nfs/dbraw/zinc/36/63/45/402366345.db2.gz WQPUEEWEZDMXNL-UHFFFAOYSA-N 2 2 313.449 2.232 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000171718025 402614360 /nfs/dbraw/zinc/61/43/60/402614360.db2.gz PPJFAUAMJCUHAR-UHFFFAOYSA-N 2 2 312.417 2.111 20 30 DEEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000284323607 403263358 /nfs/dbraw/zinc/26/33/58/403263358.db2.gz LXBMNVRWSRFJHN-UHFFFAOYSA-N 2 2 323.444 2.354 20 30 DEEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000344178804 403961941 /nfs/dbraw/zinc/96/19/41/403961941.db2.gz WHTTVUPLRLXFBQ-IBGZPJMESA-N 2 2 313.445 2.273 20 30 DEEDLP Cn1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1C#N ZINC000289373995 403933798 /nfs/dbraw/zinc/93/37/98/403933798.db2.gz BDOXRPXUGBFXMP-UHFFFAOYSA-N 2 2 300.406 2.444 20 30 DEEDLP Cn1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1C#N ZINC000289373995 403933806 /nfs/dbraw/zinc/93/38/06/403933806.db2.gz BDOXRPXUGBFXMP-UHFFFAOYSA-N 2 2 300.406 2.444 20 30 DEEDLP Cn1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC000289373995 403933814 /nfs/dbraw/zinc/93/38/14/403933814.db2.gz BDOXRPXUGBFXMP-UHFFFAOYSA-N 2 2 300.406 2.444 20 30 DEEDLP Cn1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1C#N ZINC000289373995 403933821 /nfs/dbraw/zinc/93/38/21/403933821.db2.gz BDOXRPXUGBFXMP-UHFFFAOYSA-N 2 2 300.406 2.444 20 30 DEEDLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202022 404497961 /nfs/dbraw/zinc/49/79/61/404497961.db2.gz GBCCRCMZQNCKBW-MSOLQXFVSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202022 404497966 /nfs/dbraw/zinc/49/79/66/404497966.db2.gz GBCCRCMZQNCKBW-MSOLQXFVSA-N 2 2 301.434 2.446 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000366230924 404776469 /nfs/dbraw/zinc/77/64/69/404776469.db2.gz CWKLPXXEEKBQMH-IEZWGBDMSA-N 2 2 314.429 2.212 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000366230924 404776471 /nfs/dbraw/zinc/77/64/71/404776471.db2.gz CWKLPXXEEKBQMH-IEZWGBDMSA-N 2 2 314.429 2.212 20 30 DEEDLP Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425223681 405260323 /nfs/dbraw/zinc/26/03/23/405260323.db2.gz CMAWLLIYKOVCBS-UHFFFAOYSA-N 2 2 302.422 2.199 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420302429 405311219 /nfs/dbraw/zinc/31/12/19/405311219.db2.gz GBKWZFCFYQPKOT-USXIJHARSA-N 2 2 301.434 2.143 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420302429 405311222 /nfs/dbraw/zinc/31/12/22/405311222.db2.gz GBKWZFCFYQPKOT-USXIJHARSA-N 2 2 301.434 2.143 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611745 405466472 /nfs/dbraw/zinc/46/64/72/405466472.db2.gz PEVVPKBUCCFVJJ-CABCVRRESA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611745 405466473 /nfs/dbraw/zinc/46/64/73/405466473.db2.gz PEVVPKBUCCFVJJ-CABCVRRESA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430931933 405533924 /nfs/dbraw/zinc/53/39/24/405533924.db2.gz XWVANGFYFAGRRB-GJZGRUSLSA-N 2 2 321.490 2.193 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430931933 405533929 /nfs/dbraw/zinc/53/39/29/405533929.db2.gz XWVANGFYFAGRRB-GJZGRUSLSA-N 2 2 321.490 2.193 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834851322 649854393 /nfs/dbraw/zinc/85/43/93/649854393.db2.gz WTUDACIWWOKRLX-FUHWJXTLSA-N 2 2 316.445 2.196 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000834851322 649854394 /nfs/dbraw/zinc/85/43/94/649854394.db2.gz WTUDACIWWOKRLX-FUHWJXTLSA-N 2 2 316.445 2.196 20 30 DEEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000077249906 276149166 /nfs/dbraw/zinc/14/91/66/276149166.db2.gz QNQXOOLCASDDFL-UHFFFAOYSA-N 2 2 320.481 2.087 20 30 DEEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000077249906 276149167 /nfs/dbraw/zinc/14/91/67/276149167.db2.gz QNQXOOLCASDDFL-UHFFFAOYSA-N 2 2 320.481 2.087 20 30 DEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1C[C@@H]1C ZINC000262575298 276843755 /nfs/dbraw/zinc/84/37/55/276843755.db2.gz OBWREWPSMCEWQP-SOUVJXGZSA-N 2 2 304.438 2.380 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955476 782077734 /nfs/dbraw/zinc/07/77/34/782077734.db2.gz SJVCVDYNNJSOAC-QAPCUYQASA-N 2 2 322.412 2.088 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955476 782077740 /nfs/dbraw/zinc/07/77/40/782077740.db2.gz SJVCVDYNNJSOAC-QAPCUYQASA-N 2 2 322.412 2.088 20 30 DEEDLP C=CCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721176 337124946 /nfs/dbraw/zinc/12/49/46/337124946.db2.gz WJFDMUQLUFAFQI-ULQDDVLXSA-N 2 2 310.482 2.183 20 30 DEEDLP C=CCC1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721175 337125036 /nfs/dbraw/zinc/12/50/36/337125036.db2.gz WJFDMUQLUFAFQI-IXDOHACOSA-N 2 2 310.482 2.183 20 30 DEEDLP C=CCC1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721175 337125037 /nfs/dbraw/zinc/12/50/37/337125037.db2.gz WJFDMUQLUFAFQI-IXDOHACOSA-N 2 2 310.482 2.183 20 30 DEEDLP Cn1c[nH+]cc1CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000584418468 337322777 /nfs/dbraw/zinc/32/27/77/337322777.db2.gz BRLOYCHTSXJPOP-UHFFFAOYSA-N 2 2 309.417 2.305 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495744945 339991287 /nfs/dbraw/zinc/99/12/87/339991287.db2.gz JCHXBHKCACYLIV-CQSZACIVSA-N 2 2 323.481 2.482 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001401791290 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BTRBIIKTANSVCW-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942360 635030202 /nfs/dbraw/zinc/03/02/02/635030202.db2.gz BTRBIIKTANSVCW-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942360 635030206 /nfs/dbraw/zinc/03/02/06/635030206.db2.gz BTRBIIKTANSVCW-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000981431662 635477770 /nfs/dbraw/zinc/47/77/70/635477770.db2.gz RXGGMYFEUHIIAQ-UHFFFAOYSA-N 2 2 304.438 2.037 20 30 DEEDLP C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000981431662 635477776 /nfs/dbraw/zinc/47/77/76/635477776.db2.gz RXGGMYFEUHIIAQ-UHFFFAOYSA-N 2 2 304.438 2.037 20 30 DEEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001001629231 635534196 /nfs/dbraw/zinc/53/41/96/635534196.db2.gz OWHUDIYYWHGCMP-UHFFFAOYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028265765 635983810 /nfs/dbraw/zinc/98/38/10/635983810.db2.gz IZXRGUSUIRTSPJ-CYBMUJFWSA-N 2 2 322.840 2.094 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028265765 635983812 /nfs/dbraw/zinc/98/38/12/635983812.db2.gz IZXRGUSUIRTSPJ-CYBMUJFWSA-N 2 2 322.840 2.094 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004575213 636489957 /nfs/dbraw/zinc/48/99/57/636489957.db2.gz BAEKESVPISBZQB-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004575213 636489959 /nfs/dbraw/zinc/48/99/59/636489959.db2.gz BAEKESVPISBZQB-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C#CCC[N@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000983552994 637013921 /nfs/dbraw/zinc/01/39/21/637013921.db2.gz GXJWAENTAUZBGQ-UHFFFAOYSA-N 2 2 322.412 2.044 20 30 DEEDLP C#CCC[N@@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000983552994 637013927 /nfs/dbraw/zinc/01/39/27/637013927.db2.gz GXJWAENTAUZBGQ-UHFFFAOYSA-N 2 2 322.412 2.044 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000987300438 640160269 /nfs/dbraw/zinc/16/02/69/640160269.db2.gz OIXZSEBSGHMULD-YOEHRIQHSA-N 2 2 310.401 2.251 20 30 DEEDLP C=CCCn1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)nn1 ZINC000903812147 643470851 /nfs/dbraw/zinc/47/08/51/643470851.db2.gz QXECMRMCLLPQJQ-INIZCTEOSA-N 2 2 303.454 2.338 20 30 DEEDLP C=CCCn1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)nn1 ZINC000903812147 643470854 /nfs/dbraw/zinc/47/08/54/643470854.db2.gz QXECMRMCLLPQJQ-INIZCTEOSA-N 2 2 303.454 2.338 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894406 648968498 /nfs/dbraw/zinc/96/84/98/648968498.db2.gz ZRYFSBQROOKDRZ-AWEZNQCLSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894406 648968502 /nfs/dbraw/zinc/96/85/02/648968502.db2.gz ZRYFSBQROOKDRZ-AWEZNQCLSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Br)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848526262 651467030 /nfs/dbraw/zinc/46/70/30/651467030.db2.gz ZQTWMNAXSSWBIF-CYBMUJFWSA-N 2 2 303.244 2.128 20 30 DEEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000848534325 651468062 /nfs/dbraw/zinc/46/80/62/651468062.db2.gz QMZFRWICNZNUCB-MSOLQXFVSA-N 2 2 313.445 2.441 20 30 DEEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000848534325 651468064 /nfs/dbraw/zinc/46/80/64/651468064.db2.gz QMZFRWICNZNUCB-MSOLQXFVSA-N 2 2 313.445 2.441 20 30 DEEDLP C=CC[C@]1(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCC[NH2+]1 ZINC000852863403 652472152 /nfs/dbraw/zinc/47/21/52/652472152.db2.gz NJHQNNDQGKLPFM-QGZVFWFLSA-N 2 2 303.406 2.022 20 30 DEEDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C#N)c1O ZINC000866261926 687513569 /nfs/dbraw/zinc/51/35/69/687513569.db2.gz AUIGFABKCUDJCM-ZBFHGGJFSA-N 2 2 317.433 2.151 20 30 DEEDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1O ZINC000866261926 687513573 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30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001420654698 1169855291 /nfs/dbraw/zinc/85/52/91/1169855291.db2.gz UVPLJVQHCWMOOG-CQSZACIVSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001420654698 1169855292 /nfs/dbraw/zinc/85/52/92/1169855292.db2.gz UVPLJVQHCWMOOG-CQSZACIVSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001421019011 1171432963 /nfs/dbraw/zinc/43/29/63/1171432963.db2.gz BMECVNCXSDMKTB-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001421019011 1171432966 /nfs/dbraw/zinc/43/29/66/1171432966.db2.gz BMECVNCXSDMKTB-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001421019011 1171432976 /nfs/dbraw/zinc/43/29/76/1171432976.db2.gz BMECVNCXSDMKTB-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001421019011 1171432980 /nfs/dbraw/zinc/43/29/80/1171432980.db2.gz BMECVNCXSDMKTB-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001421574287 1171854198 /nfs/dbraw/zinc/85/41/98/1171854198.db2.gz JPHPUUJAVWLYHT-XJKSGUPXSA-N 2 2 324.856 2.290 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001422262853 1172446460 /nfs/dbraw/zinc/44/64/60/1172446460.db2.gz AXRBGTPXWIVSAJ-GJZGRUSLSA-N 2 2 324.856 2.290 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001422988531 1173001544 /nfs/dbraw/zinc/00/15/44/1173001544.db2.gz ZFKKRGSLRWUBAV-HIFRSBDPSA-N 2 2 324.856 2.413 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001423664326 1173476248 /nfs/dbraw/zinc/47/62/48/1173476248.db2.gz ZJNIZDOMXPOPSO-INIZCTEOSA-N 2 2 324.856 2.268 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001438772287 1180809089 /nfs/dbraw/zinc/80/90/89/1180809089.db2.gz LOVGQOBSTLRXEV-NHYWBVRUSA-N 2 2 324.856 2.230 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444823105 1183571406 /nfs/dbraw/zinc/57/14/06/1183571406.db2.gz CPBISGAXWPOWAX-KBPBESRZSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444823105 1183571409 /nfs/dbraw/zinc/57/14/09/1183571409.db2.gz CPBISGAXWPOWAX-KBPBESRZSA-N 2 2 324.856 2.312 20 30 DEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001447955770 1184978581 /nfs/dbraw/zinc/97/85/81/1184978581.db2.gz KYEFBYVUPVGWIZ-UHFFFAOYSA-N 2 2 312.845 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001447955770 1184978589 /nfs/dbraw/zinc/97/85/89/1184978589.db2.gz KYEFBYVUPVGWIZ-UHFFFAOYSA-N 2 2 312.845 2.169 20 30 DEEDLP C=CCN(CC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204394 777140306 /nfs/dbraw/zinc/14/03/06/777140306.db2.gz LQKBRKZNRXZSLV-IYBDPMFKSA-N 2 2 323.481 2.293 20 30 DEEDLP C=CCN(CC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204394 777140310 /nfs/dbraw/zinc/14/03/10/777140310.db2.gz LQKBRKZNRXZSLV-IYBDPMFKSA-N 2 2 323.481 2.293 20 30 DEEDLP C=CCN(CC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204394 777140315 /nfs/dbraw/zinc/14/03/15/777140315.db2.gz LQKBRKZNRXZSLV-IYBDPMFKSA-N 2 2 323.481 2.293 20 30 DEEDLP C=CCN(CC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204394 777140318 /nfs/dbraw/zinc/14/03/18/777140318.db2.gz LQKBRKZNRXZSLV-IYBDPMFKSA-N 2 2 323.481 2.293 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321752 777785953 /nfs/dbraw/zinc/78/59/53/777785953.db2.gz YCZJNSTVEXTUBB-OIISXLGYSA-N 2 2 316.449 2.064 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321752 777785962 /nfs/dbraw/zinc/78/59/62/777785962.db2.gz YCZJNSTVEXTUBB-OIISXLGYSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836521 778206262 /nfs/dbraw/zinc/20/62/62/778206262.db2.gz QFKAEDZCMHSHTD-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097640 778339087 /nfs/dbraw/zinc/33/90/87/778339087.db2.gz VHCGLGQLAULWPL-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088356206 780018204 /nfs/dbraw/zinc/01/82/04/780018204.db2.gz TZIQBXZWCQETBI-OAHLLOKOSA-N 2 2 324.856 2.387 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390337 780061419 /nfs/dbraw/zinc/06/14/19/780061419.db2.gz LPLZNUQZJQKXDE-CYBMUJFWSA-N 2 2 310.829 2.066 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620076 783531897 /nfs/dbraw/zinc/53/18/97/783531897.db2.gz CBFKYGVKZRKCCU-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620076 783531901 /nfs/dbraw/zinc/53/19/01/783531901.db2.gz CBFKYGVKZRKCCU-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746919 784031402 /nfs/dbraw/zinc/03/14/02/784031402.db2.gz TUUCCSJEOOXUHP-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746919 784031406 /nfs/dbraw/zinc/03/14/06/784031406.db2.gz TUUCCSJEOOXUHP-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595515 784487503 /nfs/dbraw/zinc/48/75/03/784487503.db2.gz AODNUPQEMVWXIC-CZUORRHYSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595515 784487507 /nfs/dbraw/zinc/48/75/07/784487507.db2.gz AODNUPQEMVWXIC-CZUORRHYSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901896 784642487 /nfs/dbraw/zinc/64/24/87/784642487.db2.gz KNRLRMVPKQHLNX-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901896 784642493 /nfs/dbraw/zinc/64/24/93/784642493.db2.gz KNRLRMVPKQHLNX-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901896 784642499 /nfs/dbraw/zinc/64/24/99/784642499.db2.gz KNRLRMVPKQHLNX-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901896 784642507 /nfs/dbraw/zinc/64/25/07/784642507.db2.gz KNRLRMVPKQHLNX-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206333 787156673 /nfs/dbraw/zinc/15/66/73/787156673.db2.gz JBHCDZBJQZTVMD-HWWDLCQESA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206333 787156678 /nfs/dbraw/zinc/15/66/78/787156678.db2.gz JBHCDZBJQZTVMD-HWWDLCQESA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095995090 787440269 /nfs/dbraw/zinc/44/02/69/787440269.db2.gz XYJIQSXZBCQDQG-VRKREXBASA-N 2 2 314.433 2.127 20 30 DEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095995090 787440273 /nfs/dbraw/zinc/44/02/73/787440273.db2.gz XYJIQSXZBCQDQG-VRKREXBASA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270738 787584810 /nfs/dbraw/zinc/58/48/10/787584810.db2.gz RPPZCVBRCLOVTG-UHFFFAOYSA-N 2 2 300.406 2.400 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132446321 788080586 /nfs/dbraw/zinc/08/05/86/788080586.db2.gz WVHZZKPOLAEPTJ-UKRRQHHQSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132446321 788080592 /nfs/dbraw/zinc/08/05/92/788080592.db2.gz WVHZZKPOLAEPTJ-UKRRQHHQSA-N 2 2 304.438 2.196 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071512511 789751744 /nfs/dbraw/zinc/75/17/44/789751744.db2.gz YSOBNPOLVMRVDH-PBHICJAKSA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071512511 789751748 /nfs/dbraw/zinc/75/17/48/789751748.db2.gz YSOBNPOLVMRVDH-PBHICJAKSA-N 2 2 324.428 2.249 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663494 792775265 /nfs/dbraw/zinc/77/52/65/792775265.db2.gz VAEXEJRAMYJCHG-YMAMQOFZSA-N 2 2 316.449 2.280 20 30 DEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171476277 793107524 /nfs/dbraw/zinc/10/75/24/793107524.db2.gz SAKFNJYOCNUSNP-HNNXBMFYSA-N 2 2 318.465 2.215 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171604726 793147396 /nfs/dbraw/zinc/14/73/96/793147396.db2.gz JPTRKVHUDDKGRF-CVEARBPZSA-N 2 2 318.465 2.286 20 30 DEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784873 793212476 /nfs/dbraw/zinc/21/24/76/793212476.db2.gz VEQWKBPPKHGPPH-OAHLLOKOSA-N 2 2 312.417 2.236 20 30 DEEDLP C[C@H](CCCC#N)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001172495530 793437524 /nfs/dbraw/zinc/43/75/24/793437524.db2.gz QZWHFHHCGPXTHK-OAHLLOKOSA-N 2 2 312.421 2.068 20 30 DEEDLP C[C@H](CCCC#N)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001172495530 793437526 /nfs/dbraw/zinc/43/75/26/793437526.db2.gz QZWHFHHCGPXTHK-OAHLLOKOSA-N 2 2 312.421 2.068 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643774 794253499 /nfs/dbraw/zinc/25/34/99/794253499.db2.gz GSKGNTIJHZXCTN-LSDHHAIUSA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643774 794253505 /nfs/dbraw/zinc/25/35/05/794253505.db2.gz GSKGNTIJHZXCTN-LSDHHAIUSA-N 2 2 306.454 2.429 20 30 DEEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351963 794411913 /nfs/dbraw/zinc/41/19/13/794411913.db2.gz XLDGYUWTQCQOII-AWEZNQCLSA-N 2 2 306.454 2.491 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007481 795224605 /nfs/dbraw/zinc/22/46/05/795224605.db2.gz YEPUSQRKAFMDRV-QEJZJMRPSA-N 2 2 304.438 2.194 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121020151 795578247 /nfs/dbraw/zinc/57/82/47/795578247.db2.gz MSGCWNAXHFLQKJ-UHFFFAOYSA-N 2 2 322.840 2.112 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850849 796129404 /nfs/dbraw/zinc/12/94/04/796129404.db2.gz HNVRUWLPZOYFRO-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184852065 796129903 /nfs/dbraw/zinc/12/99/03/796129903.db2.gz SLVQOOFWHGLKTH-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP COCC[N@H+](Cc1cc(F)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001139875027 796439484 /nfs/dbraw/zinc/43/94/84/796439484.db2.gz RSKGZOHTGWBSHG-UHFFFAOYSA-N 2 2 305.397 2.240 20 30 DEEDLP COCC[N@@H+](Cc1cc(F)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001139875027 796439487 /nfs/dbraw/zinc/43/94/87/796439487.db2.gz RSKGZOHTGWBSHG-UHFFFAOYSA-N 2 2 305.397 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OSKCPQZIZUWNLK-UHFFFAOYSA-N 2 2 311.470 2.436 20 30 DEEDLP C=CCN(CC[N@@H+](C(C)C)C1CC[NH+](C)CC1)C(=O)OCC ZINC001209023998 801114242 /nfs/dbraw/zinc/11/42/42/801114242.db2.gz OSKCPQZIZUWNLK-UHFFFAOYSA-N 2 2 311.470 2.436 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226886222 803172526 /nfs/dbraw/zinc/17/25/26/803172526.db2.gz UTJPKZCNEKSCRX-KBUPBQIOSA-N 2 2 302.422 2.106 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226886222 803172533 /nfs/dbraw/zinc/17/25/33/803172533.db2.gz UTJPKZCNEKSCRX-KBUPBQIOSA-N 2 2 302.422 2.106 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227166119 803210440 /nfs/dbraw/zinc/21/04/40/803210440.db2.gz SEODVRJESUBPTF-USXIJHARSA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001368837114 1148701894 /nfs/dbraw/zinc/70/18/94/1148701894.db2.gz BJAMPYUXPKIXJO-WDEREUQCSA-N 2 2 306.797 2.412 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001328101458 1148721590 /nfs/dbraw/zinc/72/15/90/1148721590.db2.gz FWJBGNFARDOEEU-LSDHHAIUSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001328101458 1148721602 /nfs/dbraw/zinc/72/16/02/1148721602.db2.gz FWJBGNFARDOEEU-LSDHHAIUSA-N 2 2 304.438 2.237 20 30 DEEDLP CC#CC[C@@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001574970674 1069313854 /nfs/dbraw/zinc/31/38/54/1069313854.db2.gz XYVYIFNHAWLQNT-GXTWGEPZSA-N 2 2 320.462 2.054 20 30 DEEDLP CC#CC[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001574970674 1069313867 /nfs/dbraw/zinc/31/38/67/1069313867.db2.gz XYVYIFNHAWLQNT-GXTWGEPZSA-N 2 2 320.462 2.054 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001328764724 1148833120 /nfs/dbraw/zinc/83/31/20/1148833120.db2.gz CVJXQTWMUNCLON-NVXWUHKLSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 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DEEDLP C=CC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001265364288 1144698812 /nfs/dbraw/zinc/69/88/12/1144698812.db2.gz MECJCPWAFSKXAM-QGZVFWFLSA-N 2 2 310.401 2.156 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266010338 1144785318 /nfs/dbraw/zinc/78/53/18/1144785318.db2.gz HICRNHDZHSWWLB-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001282271438 1145027381 /nfs/dbraw/zinc/02/73/81/1145027381.db2.gz VSBZSWMWQNDKFY-UHFFFAOYSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001282569305 1145088417 /nfs/dbraw/zinc/08/84/17/1145088417.db2.gz SKDSESPLTKMMLB-INIZCTEOSA-N 2 2 306.454 2.001 20 30 DEEDLP C=CCOc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001308256219 1147461013 /nfs/dbraw/zinc/46/10/13/1147461013.db2.gz MIOMYORGNCQJBE-WMZOPIPTSA-N 2 2 302.418 2.204 20 30 DEEDLP C=CCOc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001308256219 1147461026 /nfs/dbraw/zinc/46/10/26/1147461026.db2.gz MIOMYORGNCQJBE-WMZOPIPTSA-N 2 2 302.418 2.204 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001316933653 1147634409 /nfs/dbraw/zinc/63/44/09/1147634409.db2.gz LVZXWBZNHHRJFC-OAHLLOKOSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316944002 1147636270 /nfs/dbraw/zinc/63/62/70/1147636270.db2.gz MQSKGTWGAUDPML-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316944002 1147636272 /nfs/dbraw/zinc/63/62/72/1147636272.db2.gz MQSKGTWGAUDPML-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001367182744 1147661350 /nfs/dbraw/zinc/66/13/50/1147661350.db2.gz HRRJZMUKHKAXQJ-WBMJQRKESA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001367481868 1147700518 /nfs/dbraw/zinc/70/05/18/1147700518.db2.gz LEBDWPGKFHMNSF-UONOGXRCSA-N 2 2 312.845 2.317 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001325600057 1147959601 /nfs/dbraw/zinc/95/96/01/1147959601.db2.gz XOLKXTCLIIGDLJ-IRXDYDNUSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001325629346 1147969254 /nfs/dbraw/zinc/96/92/54/1147969254.db2.gz LKZDFWDZXWBZIN-WCXIOVBPSA-N 2 2 316.449 2.379 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001325629346 1147969264 /nfs/dbraw/zinc/96/92/64/1147969264.db2.gz LKZDFWDZXWBZIN-WCXIOVBPSA-N 2 2 316.449 2.379 20 30 DEEDLP CN(C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1(C#N)CCCCC1 ZINC000372989411 282255730 /nfs/dbraw/zinc/25/57/30/282255730.db2.gz JQCHDMGPWPPASY-INIZCTEOSA-N 2 2 320.481 2.087 20 30 DEEDLP CN(C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1(C#N)CCCCC1 ZINC000372989411 282255732 /nfs/dbraw/zinc/25/57/32/282255732.db2.gz JQCHDMGPWPPASY-INIZCTEOSA-N 2 2 320.481 2.087 20 30 DEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595496616 358465116 /nfs/dbraw/zinc/46/51/16/358465116.db2.gz DXRILPGGXYQEAQ-INIZCTEOSA-N 2 2 313.445 2.286 20 30 DEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595496616 358465123 /nfs/dbraw/zinc/46/51/23/358465123.db2.gz DXRILPGGXYQEAQ-INIZCTEOSA-N 2 2 313.445 2.286 20 30 DEEDLP C[NH+]1CCC(CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000329011866 539913355 /nfs/dbraw/zinc/91/33/55/539913355.db2.gz OUQUFKIZUTVTJA-UHFFFAOYSA-N 2 2 319.453 2.235 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636109 355443387 /nfs/dbraw/zinc/44/33/87/355443387.db2.gz WGRRDUSGLFWVHD-KRWDZBQOSA-N 2 2 307.482 2.075 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636109 355443389 /nfs/dbraw/zinc/44/33/89/355443389.db2.gz WGRRDUSGLFWVHD-KRWDZBQOSA-N 2 2 307.482 2.075 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081636109 355443392 /nfs/dbraw/zinc/44/33/92/355443392.db2.gz WGRRDUSGLFWVHD-KRWDZBQOSA-N 2 2 307.482 2.075 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636109 355443393 /nfs/dbraw/zinc/44/33/93/355443393.db2.gz WGRRDUSGLFWVHD-KRWDZBQOSA-N 2 2 307.482 2.075 20 30 DEEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000159947814 355963133 /nfs/dbraw/zinc/96/31/33/355963133.db2.gz NYQOFHAKLSJNIR-QGZVFWFLSA-N 2 2 301.434 2.058 20 30 DEEDLP Cn1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593692740 358124791 /nfs/dbraw/zinc/12/47/91/358124791.db2.gz JCVCSFPAGQYLEK-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000594581092 358296785 /nfs/dbraw/zinc/29/67/85/358296785.db2.gz NMHSWKPVCSIZEF-HKUYNNGSSA-N 3 2 312.461 2.382 20 30 DEEDLP N#Cc1csc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000594616748 358307277 /nfs/dbraw/zinc/30/72/77/358307277.db2.gz IIYJKJVGASOJPO-OAHLLOKOSA-N 2 2 305.447 2.306 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725247 359306934 /nfs/dbraw/zinc/30/69/34/359306934.db2.gz WOPNKAHUWKPWLT-KBAYOESNSA-N 2 2 315.461 2.397 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725247 359306936 /nfs/dbraw/zinc/30/69/36/359306936.db2.gz WOPNKAHUWKPWLT-KBAYOESNSA-N 2 2 315.461 2.397 20 30 DEEDLP CC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000599623854 359545393 /nfs/dbraw/zinc/54/53/93/359545393.db2.gz XYAIPKRVIAPAKX-UHFFFAOYSA-N 2 2 313.445 2.287 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602547406 360427384 /nfs/dbraw/zinc/42/73/84/360427384.db2.gz YMQJCMNCUOKDJS-CRAIPNDOSA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602547406 360427388 /nfs/dbraw/zinc/42/73/88/360427388.db2.gz YMQJCMNCUOKDJS-CRAIPNDOSA-N 2 2 316.449 2.180 20 30 DEEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018118 193195289 /nfs/dbraw/zinc/19/52/89/193195289.db2.gz VCOGSKQBWZMSHU-AWEZNQCLSA-N 2 2 305.447 2.164 20 30 DEEDLP N#Cc1csc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018118 193195290 /nfs/dbraw/zinc/19/52/90/193195290.db2.gz VCOGSKQBWZMSHU-AWEZNQCLSA-N 2 2 305.447 2.164 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC000264924053 204273522 /nfs/dbraw/zinc/27/35/22/204273522.db2.gz KZJCFCLOAXKCBE-INIZCTEOSA-N 2 2 304.438 2.088 20 30 DEEDLP COC(=O)c1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1C#N ZINC000540348856 285115620 /nfs/dbraw/zinc/11/56/20/285115620.db2.gz XMPLYPSNWDXBHL-UHFFFAOYSA-N 2 2 312.373 2.063 20 30 DEEDLP COC(=O)c1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1C#N ZINC000540348856 285115621 /nfs/dbraw/zinc/11/56/21/285115621.db2.gz XMPLYPSNWDXBHL-UHFFFAOYSA-N 2 2 312.373 2.063 20 30 DEEDLP Cc1cc(C#N)cnc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000559871374 291918998 /nfs/dbraw/zinc/91/89/98/291918998.db2.gz NCLWROJFRLPCAN-UHFFFAOYSA-N 2 2 304.313 2.095 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247527515 402571316 /nfs/dbraw/zinc/57/13/16/402571316.db2.gz NYIYJZXMCUZZFF-DLBZAZTESA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247527515 402571318 /nfs/dbraw/zinc/57/13/18/402571318.db2.gz NYIYJZXMCUZZFF-DLBZAZTESA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247527515 402571321 /nfs/dbraw/zinc/57/13/21/402571321.db2.gz NYIYJZXMCUZZFF-DLBZAZTESA-N 2 2 307.482 2.382 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247527515 402571322 /nfs/dbraw/zinc/57/13/22/402571322.db2.gz NYIYJZXMCUZZFF-DLBZAZTESA-N 2 2 307.482 2.382 20 30 DEEDLP Cc1ccnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000273377906 402999079 /nfs/dbraw/zinc/99/90/79/402999079.db2.gz SKZFQJNPTZQWLX-UHFFFAOYSA-N 2 2 313.449 2.232 20 30 DEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C#N)o3)[nH+]c2)C1 ZINC000269483487 403143085 /nfs/dbraw/zinc/14/30/85/403143085.db2.gz GNOTVMZGRSFSNP-CQSZACIVSA-N 2 2 311.389 2.299 20 30 DEEDLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292206384 403320526 /nfs/dbraw/zinc/32/05/26/403320526.db2.gz OBMUWCXCHBCCKY-MRXNPFEDSA-N 2 2 302.422 2.138 20 30 DEEDLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292206384 403320528 /nfs/dbraw/zinc/32/05/28/403320528.db2.gz OBMUWCXCHBCCKY-MRXNPFEDSA-N 2 2 302.422 2.138 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289291796 403899605 /nfs/dbraw/zinc/89/96/05/403899605.db2.gz HFZLRKPWNPBOAL-OAHLLOKOSA-N 2 2 324.428 2.048 20 30 DEEDLP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000329796972 404454524 /nfs/dbraw/zinc/45/45/24/404454524.db2.gz FGESLMNNMODXBH-MCIONIFRSA-N 2 2 305.426 2.333 20 30 DEEDLP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000329796972 404454532 /nfs/dbraw/zinc/45/45/32/404454532.db2.gz FGESLMNNMODXBH-MCIONIFRSA-N 2 2 305.426 2.333 20 30 DEEDLP Cn1c[nH+]cc1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297280209 404530514 /nfs/dbraw/zinc/53/05/14/404530514.db2.gz ADRBHGVFIFGYDU-UHFFFAOYSA-N 2 2 310.401 2.378 20 30 DEEDLP Cc1nc(N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc[nH+]1 ZINC000353637410 404895053 /nfs/dbraw/zinc/89/50/53/404895053.db2.gz PXGDJWRFLKVVKS-UHFFFAOYSA-N 2 2 307.401 2.173 20 30 DEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nn1 ZINC000424295962 405061481 /nfs/dbraw/zinc/06/14/81/405061481.db2.gz NWJFSZXEADLHJC-SJLPKXTDSA-N 2 2 311.433 2.389 20 30 DEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nn1 ZINC000424295962 405061486 /nfs/dbraw/zinc/06/14/86/405061486.db2.gz NWJFSZXEADLHJC-SJLPKXTDSA-N 2 2 311.433 2.389 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341659 405334528 /nfs/dbraw/zinc/33/45/28/405334528.db2.gz VMLODPCETXDQDL-NUJGCVRESA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341659 405334535 /nfs/dbraw/zinc/33/45/35/405334535.db2.gz VMLODPCETXDQDL-NUJGCVRESA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441341659 405334537 /nfs/dbraw/zinc/33/45/37/405334537.db2.gz VMLODPCETXDQDL-NUJGCVRESA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441341659 405334541 /nfs/dbraw/zinc/33/45/41/405334541.db2.gz VMLODPCETXDQDL-NUJGCVRESA-N 2 2 322.497 2.236 20 30 DEEDLP C=CCOCCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026638 406021758 /nfs/dbraw/zinc/02/17/58/406021758.db2.gz URWUBJRBXMJOEE-HNNXBMFYSA-N 2 2 305.422 2.193 20 30 DEEDLP C=CCOCCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026638 406021763 /nfs/dbraw/zinc/02/17/63/406021763.db2.gz URWUBJRBXMJOEE-HNNXBMFYSA-N 2 2 305.422 2.193 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925803 407075255 /nfs/dbraw/zinc/07/52/55/407075255.db2.gz YHGDJVAQFJPSOI-CQSZACIVSA-N 2 2 321.490 2.464 20 30 DEEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N1CCC(C)CC1 ZINC000264096831 225303362 /nfs/dbraw/zinc/30/33/62/225303362.db2.gz MWSBKCDQSRDOEM-UHFFFAOYSA-N 2 2 312.421 2.122 20 30 DEEDLP C=CCCn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn1 ZINC000653496673 425161239 /nfs/dbraw/zinc/16/12/39/425161239.db2.gz BUSOXPINBJKFFL-UHFFFAOYSA-N 2 2 303.454 2.162 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nn1 ZINC000663344080 425831013 /nfs/dbraw/zinc/83/10/13/425831013.db2.gz NLFOHMDWRJYQLI-INIZCTEOSA-N 2 2 303.454 2.066 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nn1 ZINC000663344080 425831015 /nfs/dbraw/zinc/83/10/15/425831015.db2.gz NLFOHMDWRJYQLI-INIZCTEOSA-N 2 2 303.454 2.066 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378398610 1152317386 /nfs/dbraw/zinc/31/73/86/1152317386.db2.gz KMDDMLURMILOMS-BZNIZROVSA-N 2 2 324.856 2.215 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001445816998 1184070448 /nfs/dbraw/zinc/07/04/48/1184070448.db2.gz MMUDQQWXPFLCGG-CYBMUJFWSA-N 2 2 303.878 2.153 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001445816998 1184070453 /nfs/dbraw/zinc/07/04/53/1184070453.db2.gz MMUDQQWXPFLCGG-CYBMUJFWSA-N 2 2 303.878 2.153 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001445816998 1184070458 /nfs/dbraw/zinc/07/04/58/1184070458.db2.gz MMUDQQWXPFLCGG-CYBMUJFWSA-N 2 2 303.878 2.153 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c2cc1C ZINC000268293734 534138773 /nfs/dbraw/zinc/13/87/73/534138773.db2.gz KCKLKJXVBPKLQW-HUUCEWRRSA-N 2 2 300.406 2.248 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)CC#N)c2cc1C ZINC000268293734 534138781 /nfs/dbraw/zinc/13/87/81/534138781.db2.gz KCKLKJXVBPKLQW-HUUCEWRRSA-N 2 2 300.406 2.248 20 30 DEEDLP CC(C)Oc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262311352 528204275 /nfs/dbraw/zinc/20/42/75/528204275.db2.gz NZDXDQYTTYQBRZ-XJKSGUPXSA-N 2 2 304.438 2.014 20 30 DEEDLP CC[NH+]=C(NCC(C)(C)OC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261954669 528802119 /nfs/dbraw/zinc/80/21/19/528802119.db2.gz IMDXAXVWKBWXCE-LSDHHAIUSA-N 2 2 321.469 2.157 20 30 DEEDLP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000348294237 535033119 /nfs/dbraw/zinc/03/31/19/535033119.db2.gz QOVCRQCYLRILDT-SFHVURJKSA-N 2 2 315.461 2.377 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238729 625296870 /nfs/dbraw/zinc/29/68/70/625296870.db2.gz VLKDUMHNGVMBIR-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238729 625296874 /nfs/dbraw/zinc/29/68/74/625296874.db2.gz VLKDUMHNGVMBIR-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238729 625296877 /nfs/dbraw/zinc/29/68/77/625296877.db2.gz VLKDUMHNGVMBIR-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238729 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DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645754 623894485 /nfs/dbraw/zinc/89/44/85/623894485.db2.gz MNKCULDOYYGCKS-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645754 623894489 /nfs/dbraw/zinc/89/44/89/623894489.db2.gz MNKCULDOYYGCKS-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000893114857 625120942 /nfs/dbraw/zinc/12/09/42/625120942.db2.gz XEHSEQYRAJHMPY-UXHICEINSA-N 2 2 312.457 2.396 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371091 625243127 /nfs/dbraw/zinc/24/31/27/625243127.db2.gz RNBSUYPOXWTEJC-INIZCTEOSA-N 2 2 324.428 2.108 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371091 625243136 /nfs/dbraw/zinc/24/31/36/625243136.db2.gz RNBSUYPOXWTEJC-INIZCTEOSA-N 2 2 324.428 2.108 20 30 DEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001026296264 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2.269 20 30 DEEDLP C=CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996094278 633181954 /nfs/dbraw/zinc/18/19/54/633181954.db2.gz SGIPDMWHUTVFSV-KRWDZBQOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027598205 634248650 /nfs/dbraw/zinc/24/86/50/634248650.db2.gz NOJKHFDARFPHTJ-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027598205 634248654 /nfs/dbraw/zinc/24/86/54/634248654.db2.gz NOJKHFDARFPHTJ-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878836 634848395 /nfs/dbraw/zinc/84/83/95/634848395.db2.gz IYAJUQKGNDAKCX-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027878836 634848397 /nfs/dbraw/zinc/84/83/97/634848397.db2.gz IYAJUQKGNDAKCX-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878836 634848398 /nfs/dbraw/zinc/84/83/98/634848398.db2.gz IYAJUQKGNDAKCX-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878836 634848400 /nfs/dbraw/zinc/84/84/00/634848400.db2.gz IYAJUQKGNDAKCX-HUUCEWRRSA-N 2 2 313.873 2.192 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000921861215 635641036 /nfs/dbraw/zinc/64/10/36/635641036.db2.gz WRFGISCTCAVPHO-CVEARBPZSA-N 2 2 305.447 2.087 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042266 635841509 /nfs/dbraw/zinc/84/15/09/635841509.db2.gz JYEFQCOREUWVAM-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042266 635841514 /nfs/dbraw/zinc/84/15/14/635841514.db2.gz JYEFQCOREUWVAM-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292407 635950458 /nfs/dbraw/zinc/95/04/58/635950458.db2.gz JEZFZSXHAIPULJ-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292407 635950459 /nfs/dbraw/zinc/95/04/59/635950459.db2.gz JEZFZSXHAIPULJ-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292407 635950460 /nfs/dbraw/zinc/95/04/60/635950460.db2.gz JEZFZSXHAIPULJ-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292407 635950461 /nfs/dbraw/zinc/95/04/61/635950461.db2.gz JEZFZSXHAIPULJ-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC(C)(C)C#N)nc[nH+]1 ZINC000925372597 637029918 /nfs/dbraw/zinc/02/99/18/637029918.db2.gz XJQSOALNZCQKOO-UONOGXRCSA-N 2 2 316.453 2.405 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634338 641174179 /nfs/dbraw/zinc/17/41/79/641174179.db2.gz BKHYHGHEHNFKHN-GOEBONIOSA-N 2 2 310.401 2.251 20 30 DEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000924643522 641535714 /nfs/dbraw/zinc/53/57/14/641535714.db2.gz OHWJPAJQJRPFGV-YJBOKZPZSA-N 2 2 315.461 2.324 20 30 DEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000924643522 641535715 /nfs/dbraw/zinc/53/57/15/641535715.db2.gz OHWJPAJQJRPFGV-YJBOKZPZSA-N 2 2 315.461 2.324 20 30 DEEDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(C#N)ccn1 ZINC000902809458 643153852 /nfs/dbraw/zinc/15/38/52/643153852.db2.gz TVBQANWKPOPVNF-HOCLYGCPSA-N 2 2 314.433 2.105 20 30 DEEDLP N#Cc1sccc1N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903768864 643454844 /nfs/dbraw/zinc/45/48/44/643454844.db2.gz SPUJMJZCLGBSKZ-AWEZNQCLSA-N 2 2 304.463 2.131 20 30 DEEDLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903988018 643541465 /nfs/dbraw/zinc/54/14/65/643541465.db2.gz MPVMQRHXCITVBK-CVEARBPZSA-N 2 2 301.438 2.203 20 30 DEEDLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903988018 643541467 /nfs/dbraw/zinc/54/14/67/643541467.db2.gz MPVMQRHXCITVBK-CVEARBPZSA-N 2 2 301.438 2.203 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121947 644773799 /nfs/dbraw/zinc/77/37/99/644773799.db2.gz VBXDGGIIQVCFSY-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121947 644773801 /nfs/dbraw/zinc/77/38/01/644773801.db2.gz VBXDGGIIQVCFSY-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121947 644773802 /nfs/dbraw/zinc/77/38/02/644773802.db2.gz VBXDGGIIQVCFSY-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121947 644773806 /nfs/dbraw/zinc/77/38/06/644773806.db2.gz VBXDGGIIQVCFSY-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000809577052 646240036 /nfs/dbraw/zinc/24/00/36/646240036.db2.gz KJJNGRLTNWDZKW-BPQIPLTHSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000809577052 646240040 /nfs/dbraw/zinc/24/00/40/646240040.db2.gz KJJNGRLTNWDZKW-BPQIPLTHSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577052 646240044 /nfs/dbraw/zinc/24/00/44/646240044.db2.gz KJJNGRLTNWDZKW-BPQIPLTHSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577052 646240048 /nfs/dbraw/zinc/24/00/48/646240048.db2.gz KJJNGRLTNWDZKW-BPQIPLTHSA-N 2 2 301.434 2.246 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992668836 647182751 /nfs/dbraw/zinc/18/27/51/647182751.db2.gz PNPFQYIHVBRWJM-HRCADAONSA-N 2 2 316.449 2.135 20 30 DEEDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CCC[NH2+]1 ZINC000817973004 647397694 /nfs/dbraw/zinc/39/76/94/647397694.db2.gz BALOJDMAAZAOJJ-RHSMWYFYSA-N 2 2 303.406 2.008 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993346747 647623369 /nfs/dbraw/zinc/62/33/69/647623369.db2.gz HFJRYLQRQVXDTG-WBVHZDCISA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993346747 647623371 /nfs/dbraw/zinc/62/33/71/647623371.db2.gz HFJRYLQRQVXDTG-WBVHZDCISA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297382 647905135 /nfs/dbraw/zinc/90/51/35/647905135.db2.gz FWTYEPPJAACZNU-LSDHHAIUSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297382 647905137 /nfs/dbraw/zinc/90/51/37/647905137.db2.gz FWTYEPPJAACZNU-LSDHHAIUSA-N 2 2 304.438 2.196 20 30 DEEDLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cn1 ZINC000822785051 648286956 /nfs/dbraw/zinc/28/69/56/648286956.db2.gz KTQHBZFFMPEJLS-ZDUSSCGKSA-N 2 2 323.360 2.319 20 30 DEEDLP C[NH+](C)C[C@](C)(C=NNCCCn1cc[nH+]c1)c1ccccc1 ZINC000848416459 651457604 /nfs/dbraw/zinc/45/76/04/651457604.db2.gz LWVAHELIKNPLPK-SFHVURJKSA-N 2 2 313.449 2.368 20 30 DEEDLP CCOc1cccc(/C=N/CC[N@H+](C)CCC[NH+](C)C)c1O ZINC000849171146 651615885 /nfs/dbraw/zinc/61/58/85/651615885.db2.gz YTWRNNDMEJEVCL-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP CCOc1cccc(/C=N/CC[N@@H+](C)CCC[NH+](C)C)c1O ZINC000849171146 651615888 /nfs/dbraw/zinc/61/58/88/651615888.db2.gz YTWRNNDMEJEVCL-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP C=C(Cl)CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853686240 652589659 /nfs/dbraw/zinc/58/96/59/652589659.db2.gz WZIPJQQHAJUIHG-CQSZACIVSA-N 2 2 309.797 2.138 20 30 DEEDLP C=C(Cl)CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853686240 652589664 /nfs/dbraw/zinc/58/96/64/652589664.db2.gz WZIPJQQHAJUIHG-CQSZACIVSA-N 2 2 309.797 2.138 20 30 DEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NCC1CC1 ZINC000080526466 683983558 /nfs/dbraw/zinc/98/35/58/683983558.db2.gz BRFPKRPRFJWAMN-GFCCVEGCSA-N 2 2 306.479 2.070 20 30 DEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NCC1CC1 ZINC000080526466 683983562 /nfs/dbraw/zinc/98/35/62/683983562.db2.gz BRFPKRPRFJWAMN-GFCCVEGCSA-N 2 2 306.479 2.070 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173188 693870204 /nfs/dbraw/zinc/87/02/04/693870204.db2.gz KBEWZPKLVFWJLG-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173188 693870207 /nfs/dbraw/zinc/87/02/07/693870207.db2.gz KBEWZPKLVFWJLG-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP COc1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2)cc1Cl ZINC000303722949 685233152 /nfs/dbraw/zinc/23/31/52/685233152.db2.gz YNQIHNZEVDCJNP-UHFFFAOYSA-N 2 2 307.785 2.362 20 30 DEEDLP Cc1cc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc[nH+]1 ZINC000863160508 686439252 /nfs/dbraw/zinc/43/92/52/686439252.db2.gz IAXYPNDFJFMXSZ-UHFFFAOYSA-N 2 2 310.401 2.219 20 30 DEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866347197 687543392 /nfs/dbraw/zinc/54/33/92/687543392.db2.gz FSNHUBWRJFDRCJ-HUUCEWRRSA-N 2 2 317.433 2.415 20 30 DEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866347197 687543394 /nfs/dbraw/zinc/54/33/94/687543394.db2.gz FSNHUBWRJFDRCJ-HUUCEWRRSA-N 2 2 317.433 2.415 20 30 DEEDLP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016689343 687682527 /nfs/dbraw/zinc/68/25/27/687682527.db2.gz ZEYHZSYPMLERMF-KRWDZBQOSA-N 2 2 322.412 2.171 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016726075 687691240 /nfs/dbraw/zinc/69/12/40/687691240.db2.gz LQPPTMRWJCNWPN-INIZCTEOSA-N 2 2 324.428 2.495 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017857483 687972906 /nfs/dbraw/zinc/97/29/06/687972906.db2.gz NWHILJWHMNCWTK-IYBDPMFKSA-N 2 2 317.433 2.206 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017857483 687972911 /nfs/dbraw/zinc/97/29/11/687972911.db2.gz NWHILJWHMNCWTK-IYBDPMFKSA-N 2 2 317.433 2.206 20 30 DEEDLP C=CCc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(OC)c1O ZINC000873229419 689189545 /nfs/dbraw/zinc/18/95/45/689189545.db2.gz YHDQUKPJZOEOSO-MAUKXSAKSA-N 2 2 302.418 2.171 20 30 DEEDLP C=CCc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(OC)c1O ZINC000873229419 689189547 /nfs/dbraw/zinc/18/95/47/689189547.db2.gz YHDQUKPJZOEOSO-MAUKXSAKSA-N 2 2 302.418 2.171 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034396115 689834693 /nfs/dbraw/zinc/83/46/93/689834693.db2.gz CJSLBUDULFPBOK-ZFWWWQNUSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034396115 689834694 /nfs/dbraw/zinc/83/46/94/689834694.db2.gz CJSLBUDULFPBOK-ZFWWWQNUSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034396115 689834697 /nfs/dbraw/zinc/83/46/97/689834697.db2.gz CJSLBUDULFPBOK-ZFWWWQNUSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034396115 689834701 /nfs/dbraw/zinc/83/47/01/689834701.db2.gz CJSLBUDULFPBOK-ZFWWWQNUSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035815764 690183960 /nfs/dbraw/zinc/18/39/60/690183960.db2.gz XNVMSYDMRHYNRZ-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035815764 690183963 /nfs/dbraw/zinc/18/39/63/690183963.db2.gz XNVMSYDMRHYNRZ-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036749004 690457744 /nfs/dbraw/zinc/45/77/44/690457744.db2.gz PDILQYVARCOCKE-HOTGVXAUSA-N 2 2 316.449 2.035 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036749004 690457746 /nfs/dbraw/zinc/45/77/46/690457746.db2.gz PDILQYVARCOCKE-HOTGVXAUSA-N 2 2 316.449 2.035 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771305 690467628 /nfs/dbraw/zinc/46/76/28/690467628.db2.gz DNHXDOVRVUWDNT-HZPDHXFCSA-N 2 2 324.428 2.447 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771305 690467631 /nfs/dbraw/zinc/46/76/31/690467631.db2.gz DNHXDOVRVUWDNT-HZPDHXFCSA-N 2 2 324.428 2.447 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253917 691070205 /nfs/dbraw/zinc/07/02/05/691070205.db2.gz PSDHVNFUOYMVBB-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253917 691070208 /nfs/dbraw/zinc/07/02/08/691070208.db2.gz PSDHVNFUOYMVBB-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118651 691513139 /nfs/dbraw/zinc/51/31/39/691513139.db2.gz YBWBFHJJBDTEIW-RDTXWAMCSA-N 2 2 322.412 2.123 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118651 691513141 /nfs/dbraw/zinc/51/31/41/691513141.db2.gz YBWBFHJJBDTEIW-RDTXWAMCSA-N 2 2 322.412 2.123 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001044686089 691872086 /nfs/dbraw/zinc/87/20/86/691872086.db2.gz SPMZSEIXMCFAPT-KGLIPLIRSA-N 2 2 324.856 2.074 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001050694257 693233435 /nfs/dbraw/zinc/23/34/35/693233435.db2.gz QNWDCRQCVDGTPL-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050694257 693233438 /nfs/dbraw/zinc/23/34/38/693233438.db2.gz QNWDCRQCVDGTPL-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CO)CC2)cc1 ZINC001363599903 1153479480 /nfs/dbraw/zinc/47/94/80/1153479480.db2.gz CVXJGUBOTAAGRR-IEBWSBKVSA-N 2 2 313.445 2.273 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001393880431 1158041667 /nfs/dbraw/zinc/04/16/67/1158041667.db2.gz BYZSOTKWPGEWIO-ZIAGYGMSSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398255869 1160836633 /nfs/dbraw/zinc/83/66/33/1160836633.db2.gz SZFQEGDBOGZIBT-OAHLLOKOSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398255869 1160836634 /nfs/dbraw/zinc/83/66/34/1160836634.db2.gz SZFQEGDBOGZIBT-OAHLLOKOSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001398543305 1160962473 /nfs/dbraw/zinc/96/24/73/1160962473.db2.gz VVQUJQGATKEGNQ-RBSFLKMASA-N 2 2 324.856 2.460 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001401069006 1161866427 /nfs/dbraw/zinc/86/64/27/1161866427.db2.gz DFMSYEQUHSMFJL-XJKSGUPXSA-N 2 2 324.856 2.461 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001401346675 1161940573 /nfs/dbraw/zinc/94/05/73/1161940573.db2.gz SOOFPSLPSDEGGH-BXUZGUMPSA-N 2 2 312.845 2.071 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001421542557 1171840699 /nfs/dbraw/zinc/84/06/99/1171840699.db2.gz MTELONMJWQGFHN-HUUCEWRRSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001422798849 1172868874 /nfs/dbraw/zinc/86/88/74/1172868874.db2.gz PXZXINQCPXPUFE-AWEZNQCLSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001422798849 1172868876 /nfs/dbraw/zinc/86/88/76/1172868876.db2.gz PXZXINQCPXPUFE-AWEZNQCLSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001422798849 1172868877 /nfs/dbraw/zinc/86/88/77/1172868877.db2.gz PXZXINQCPXPUFE-AWEZNQCLSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001422798849 1172868880 /nfs/dbraw/zinc/86/88/80/1172868880.db2.gz PXZXINQCPXPUFE-AWEZNQCLSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001424085589 1173648490 /nfs/dbraw/zinc/64/84/90/1173648490.db2.gz JLKCMAAELUMOBW-HDJSIYSDSA-N 2 2 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CCOC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172129166 793320734 /nfs/dbraw/zinc/32/07/34/793320734.db2.gz XIKWFUIWCCBXRZ-MUJYYYPQSA-N 2 2 319.449 2.171 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472277 794105257 /nfs/dbraw/zinc/10/52/57/794105257.db2.gz LVJVYWLIJXWZTB-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472277 794105264 /nfs/dbraw/zinc/10/52/64/794105264.db2.gz LVJVYWLIJXWZTB-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175210024 794157752 /nfs/dbraw/zinc/15/77/52/794157752.db2.gz OLSDCJUYDNYUNU-CABCVRRESA-N 2 2 316.449 2.118 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175228716 794162803 /nfs/dbraw/zinc/16/28/03/794162803.db2.gz YAAHOZHGCVIDGX-KGLIPLIRSA-N 2 2 304.438 2.280 20 30 DEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503628 794227623 /nfs/dbraw/zinc/22/76/23/794227623.db2.gz RJPXHTPKBVNPKX-JKSUJKDBSA-N 2 2 304.438 2.122 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622949 795149402 /nfs/dbraw/zinc/14/94/02/795149402.db2.gz XFCXLQGUHQFSJZ-PMPSAXMXSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622948 795149474 /nfs/dbraw/zinc/14/94/74/795149474.db2.gz XFCXLQGUHQFSJZ-JYJNAYRXSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180033479 795228077 /nfs/dbraw/zinc/22/80/77/795228077.db2.gz SKQJPSOTAIROPU-VYDXJSESSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120010112 795389965 /nfs/dbraw/zinc/38/99/65/795389965.db2.gz MTIKOULFOXSXKH-UHFFFAOYSA-N 2 2 318.465 2.338 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001122130711 795728994 /nfs/dbraw/zinc/72/89/94/795728994.db2.gz NXNGBMYNEKPRQJ-IAGOWNOFSA-N 2 2 312.417 2.424 20 30 DEEDLP C#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)cc1OC ZINC001138348317 796203484 /nfs/dbraw/zinc/20/34/84/796203484.db2.gz QUSXDKICGGZXHV-IAGOWNOFSA-N 2 2 314.429 2.091 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202862963 796268029 /nfs/dbraw/zinc/26/80/29/796268029.db2.gz HWPPLKYODDJASP-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202862963 796268033 /nfs/dbraw/zinc/26/80/33/796268033.db2.gz HWPPLKYODDJASP-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480787 797009585 /nfs/dbraw/zinc/00/95/85/797009585.db2.gz KPQMTMGJSMJULP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480787 797009591 /nfs/dbraw/zinc/00/95/91/797009591.db2.gz KPQMTMGJSMJULP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546431 797024202 /nfs/dbraw/zinc/02/42/02/797024202.db2.gz HWZDDKHTIXJADK-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546431 797024207 /nfs/dbraw/zinc/02/42/07/797024207.db2.gz HWZDDKHTIXJADK-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546431 797024213 /nfs/dbraw/zinc/02/42/13/797024213.db2.gz HWZDDKHTIXJADK-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546431 797024221 /nfs/dbraw/zinc/02/42/21/797024221.db2.gz HWZDDKHTIXJADK-HOCLYGCPSA-N 2 2 304.438 2.230 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449865 797726226 /nfs/dbraw/zinc/72/62/26/797726226.db2.gz YEYPCEQMDNGCJL-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449865 797726229 /nfs/dbraw/zinc/72/62/29/797726229.db2.gz YEYPCEQMDNGCJL-INIZCTEOSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001196085401 798004964 /nfs/dbraw/zinc/00/49/64/798004964.db2.gz KGCTZQDSHHOHTR-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001196085401 798004971 /nfs/dbraw/zinc/00/49/71/798004971.db2.gz KGCTZQDSHHOHTR-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001196085401 798004979 /nfs/dbraw/zinc/00/49/79/798004979.db2.gz KGCTZQDSHHOHTR-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001196085401 798004986 /nfs/dbraw/zinc/00/49/86/798004986.db2.gz KGCTZQDSHHOHTR-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(CCC)[nH+]c(C)n1 ZINC001159925636 798626990 /nfs/dbraw/zinc/62/69/90/798626990.db2.gz QRTOFSAHBVCQEO-HNNXBMFYSA-N 2 2 320.437 2.376 20 30 DEEDLP CC#CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492659 798695218 /nfs/dbraw/zinc/69/52/18/798695218.db2.gz XUUQKAYQMKZYTP-UHFFFAOYSA-N 2 2 322.412 2.338 20 30 DEEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492659 798695222 /nfs/dbraw/zinc/69/52/22/798695222.db2.gz XUUQKAYQMKZYTP-UHFFFAOYSA-N 2 2 322.412 2.338 20 30 DEEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189632 798807853 /nfs/dbraw/zinc/80/78/53/798807853.db2.gz USVDDTOHXBFDIE-OAHLLOKOSA-N 2 2 314.433 2.154 20 30 DEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189632 798807857 /nfs/dbraw/zinc/80/78/57/798807857.db2.gz USVDDTOHXBFDIE-OAHLLOKOSA-N 2 2 314.433 2.154 20 30 DEEDLP C#CCCC1(CCNc2cccc(N3CC[NH+](C)CC3)[nH+]2)N=N1 ZINC001163379737 799328055 /nfs/dbraw/zinc/32/80/55/799328055.db2.gz CQSPAOCJLQNCHF-UHFFFAOYSA-N 2 2 312.421 2.211 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095413748 799549963 /nfs/dbraw/zinc/54/99/63/799549963.db2.gz DYAHCBMNCUWVJO-PMPSAXMXSA-N 2 2 310.401 2.164 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095413748 799549966 /nfs/dbraw/zinc/54/99/66/799549966.db2.gz DYAHCBMNCUWVJO-PMPSAXMXSA-N 2 2 310.401 2.164 20 30 DEEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208807167 801072720 /nfs/dbraw/zinc/07/27/20/801072720.db2.gz NTWPUZFMQPBHKQ-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865794 801296552 /nfs/dbraw/zinc/29/65/52/801296552.db2.gz KGMWBJMYQXLHCC-HOTGVXAUSA-N 2 2 304.438 2.381 20 30 DEEDLP N#Cc1cc(Br)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000310982551 802291364 /nfs/dbraw/zinc/29/13/64/802291364.db2.gz GENPLACWHNEGBO-UHFFFAOYSA-N 2 2 308.223 2.491 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001403938593 1163313582 /nfs/dbraw/zinc/31/35/82/1163313582.db2.gz ZGHFKCXEGWPTPP-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001403938593 1163313566 /nfs/dbraw/zinc/31/35/66/1163313566.db2.gz ZGHFKCXEGWPTPP-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001403938593 1163313572 /nfs/dbraw/zinc/31/35/72/1163313572.db2.gz ZGHFKCXEGWPTPP-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001403938593 1163313577 /nfs/dbraw/zinc/31/35/77/1163313577.db2.gz ZGHFKCXEGWPTPP-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001499917945 1058375245 /nfs/dbraw/zinc/37/52/45/1058375245.db2.gz YZIGBHPKCWJPJR-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001500088986 1058483421 /nfs/dbraw/zinc/48/34/21/1058483421.db2.gz QDKMEDCDFZXKNR-QGZVFWFLSA-N 2 2 324.428 2.154 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500356571 1058720689 /nfs/dbraw/zinc/72/06/89/1058720689.db2.gz URRQZOBTQHIEPO-GOSISDBHSA-N 2 2 317.433 2.037 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001501244613 1059402624 /nfs/dbraw/zinc/40/26/24/1059402624.db2.gz AYEIYAVFABRABY-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001501244613 1059402636 /nfs/dbraw/zinc/40/26/36/1059402636.db2.gz AYEIYAVFABRABY-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001502754198 1060273230 /nfs/dbraw/zinc/27/32/30/1060273230.db2.gz MJBHAUBWUGIZKB-UONOGXRCSA-N 2 2 304.438 2.090 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001502834583 1060345068 /nfs/dbraw/zinc/34/50/68/1060345068.db2.gz NABDOWVAUMOAKW-HZPDHXFCSA-N 2 2 316.449 2.074 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001502834583 1060345091 /nfs/dbraw/zinc/34/50/91/1060345091.db2.gz 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QFYCQJKOEINLGW-UHFFFAOYSA-N 2 2 306.479 2.078 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131748314 401856127 /nfs/dbraw/zinc/85/61/27/401856127.db2.gz WNAMVBLEIHLOSW-WBVHZDCISA-N 2 2 315.417 2.124 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131748314 401856129 /nfs/dbraw/zinc/85/61/29/401856129.db2.gz WNAMVBLEIHLOSW-WBVHZDCISA-N 2 2 315.417 2.124 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000154138846 402194758 /nfs/dbraw/zinc/19/47/58/402194758.db2.gz LDTDKKOIMKFEKH-KRWDZBQOSA-N 2 2 322.368 2.045 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000154138846 402194760 /nfs/dbraw/zinc/19/47/60/402194760.db2.gz LDTDKKOIMKFEKH-KRWDZBQOSA-N 2 2 322.368 2.045 20 30 DEEDLP N#Cc1ccc(CN2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182614952 402704297 /nfs/dbraw/zinc/70/42/97/402704297.db2.gz IBAAIUMYFTYBII-UHFFFAOYSA-N 2 2 323.444 2.353 20 30 DEEDLP N#Cc1ccc(CN2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182614952 402704299 /nfs/dbraw/zinc/70/42/99/402704299.db2.gz IBAAIUMYFTYBII-UHFFFAOYSA-N 2 2 323.444 2.353 20 30 DEEDLP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000281199360 403060484 /nfs/dbraw/zinc/06/04/84/403060484.db2.gz IYGWQNDDLSQNGB-KRWDZBQOSA-N 2 2 310.401 2.091 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000281199360 403060485 /nfs/dbraw/zinc/06/04/85/403060485.db2.gz IYGWQNDDLSQNGB-KRWDZBQOSA-N 2 2 310.401 2.091 20 30 DEEDLP CN(C(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000277557021 403230476 /nfs/dbraw/zinc/23/04/76/403230476.db2.gz ZICCKENHHPNTFO-INIZCTEOSA-N 2 2 318.490 2.013 20 30 DEEDLP CN(C(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000277557021 403230478 /nfs/dbraw/zinc/23/04/78/403230478.db2.gz ZICCKENHHPNTFO-INIZCTEOSA-N 2 2 318.490 2.013 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430569 403381752 /nfs/dbraw/zinc/38/17/52/403381752.db2.gz CWYVGCRAIWJCRC-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430569 403381755 /nfs/dbraw/zinc/38/17/55/403381755.db2.gz CWYVGCRAIWJCRC-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339430569 403381759 /nfs/dbraw/zinc/38/17/59/403381759.db2.gz CWYVGCRAIWJCRC-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339430569 403381761 /nfs/dbraw/zinc/38/17/61/403381761.db2.gz CWYVGCRAIWJCRC-FUHWJXTLSA-N 2 2 307.482 2.217 20 30 DEEDLP CCCNC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287376485 403586176 /nfs/dbraw/zinc/58/61/76/403586176.db2.gz ZNCROGSMEYIAQE-MRXNPFEDSA-N 2 2 306.454 2.391 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332368873 403562054 /nfs/dbraw/zinc/56/20/54/403562054.db2.gz RZQYSGHWDMECDK-RHSMWYFYSA-N 2 2 314.433 2.301 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332368873 403562059 /nfs/dbraw/zinc/56/20/59/403562059.db2.gz RZQYSGHWDMECDK-RHSMWYFYSA-N 2 2 314.433 2.301 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332368871 403562683 /nfs/dbraw/zinc/56/26/83/403562683.db2.gz RZQYSGHWDMECDK-PBHICJAKSA-N 2 2 314.433 2.301 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332368871 403562687 /nfs/dbraw/zinc/56/26/87/403562687.db2.gz RZQYSGHWDMECDK-PBHICJAKSA-N 2 2 314.433 2.301 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070482 403750099 /nfs/dbraw/zinc/75/00/99/403750099.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070482 403750105 /nfs/dbraw/zinc/75/01/05/403750105.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070482 403750110 /nfs/dbraw/zinc/75/01/10/403750110.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070482 403750114 /nfs/dbraw/zinc/75/01/14/403750114.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362389632 403952610 /nfs/dbraw/zinc/95/26/10/403952610.db2.gz BWIKKODNEUGRCF-XYJFISCASA-N 2 2 322.497 2.093 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362389632 403952613 /nfs/dbraw/zinc/95/26/13/403952613.db2.gz BWIKKODNEUGRCF-XYJFISCASA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000328896105 404169993 /nfs/dbraw/zinc/16/99/93/404169993.db2.gz VOLGPNQVORUAAS-HUUCEWRRSA-N 2 2 319.453 2.235 20 30 DEEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000328896105 404169998 /nfs/dbraw/zinc/16/99/98/404169998.db2.gz VOLGPNQVORUAAS-HUUCEWRRSA-N 2 2 319.453 2.235 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344555978 404224571 /nfs/dbraw/zinc/22/45/71/404224571.db2.gz YPRPTTNCANDKEQ-FQEVSTJZSA-N 2 2 321.424 2.285 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344555978 404224574 /nfs/dbraw/zinc/22/45/74/404224574.db2.gz YPRPTTNCANDKEQ-FQEVSTJZSA-N 2 2 321.424 2.285 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819142 404602097 /nfs/dbraw/zinc/60/20/97/404602097.db2.gz UFSYZHLNBTXJSS-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819142 404602098 /nfs/dbraw/zinc/60/20/98/404602098.db2.gz UFSYZHLNBTXJSS-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000365633782 404704075 /nfs/dbraw/zinc/70/40/75/404704075.db2.gz WMRLZTHJRIXXCV-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000365633782 404704077 /nfs/dbraw/zinc/70/40/77/404704077.db2.gz WMRLZTHJRIXXCV-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000415050021 404796535 /nfs/dbraw/zinc/79/65/35/404796535.db2.gz YNNRVYQBNRPLEU-CQSZACIVSA-N 2 2 310.825 2.373 20 30 DEEDLP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000424141587 405019705 /nfs/dbraw/zinc/01/97/05/405019705.db2.gz GQDSEYKPRSQIGL-BBRMVZONSA-N 2 2 311.389 2.071 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CC(O)C3)CC2)cc1 ZINC000361436488 405074536 /nfs/dbraw/zinc/07/45/36/405074536.db2.gz WSLMRCKACMGKJS-UHFFFAOYSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789147 406892434 /nfs/dbraw/zinc/89/24/34/406892434.db2.gz ZILSTFWATNDMOA-MSOLQXFVSA-N 2 2 309.498 2.117 20 30 DEEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCC1)c1cccc(C(F)(F)F)c1 ZINC000263174156 225292455 /nfs/dbraw/zinc/29/24/55/225292455.db2.gz SLFOHSYNFMPXPZ-CYBMUJFWSA-N 2 2 314.355 2.329 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])NC2CCCC2)[NH+](C)C)c1 ZINC000264137372 225309878 /nfs/dbraw/zinc/30/98/78/225309878.db2.gz VLLHPCVKVITUHR-INIZCTEOSA-N 2 2 304.438 2.145 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000248730643 225239939 /nfs/dbraw/zinc/23/99/39/225239939.db2.gz DEICBOMFVQUDSO-XWSJACJDSA-N 2 2 313.445 2.294 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000248730643 225239942 /nfs/dbraw/zinc/23/99/42/225239942.db2.gz DEICBOMFVQUDSO-XWSJACJDSA-N 2 2 313.445 2.294 20 30 DEEDLP Cc1cc(C)c(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331245867 226072617 /nfs/dbraw/zinc/07/26/17/226072617.db2.gz UJWZEDOGOIVVSU-ZDUSSCGKSA-N 2 2 306.410 2.053 20 30 DEEDLP C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378310749 227213012 /nfs/dbraw/zinc/21/30/12/227213012.db2.gz CXDNWILBERIMGZ-SJORKVTESA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378310749 227213018 /nfs/dbraw/zinc/21/30/18/227213018.db2.gz CXDNWILBERIMGZ-SJORKVTESA-N 2 2 306.498 2.274 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000651695024 425143692 /nfs/dbraw/zinc/14/36/92/425143692.db2.gz YSAMYSNVONZKAW-IXDOHACOSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000651695024 425143693 /nfs/dbraw/zinc/14/36/93/425143693.db2.gz YSAMYSNVONZKAW-IXDOHACOSA-N 2 2 307.482 2.264 20 30 DEEDLP CC(=O)c1ccc(C#N)c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000664195287 425327798 /nfs/dbraw/zinc/32/77/98/425327798.db2.gz BFISSSDEQOGRMT-AWEZNQCLSA-N 2 2 316.449 2.445 20 30 DEEDLP CC(=O)c1ccc(C#N)c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664195287 425327802 /nfs/dbraw/zinc/32/78/02/425327802.db2.gz BFISSSDEQOGRMT-AWEZNQCLSA-N 2 2 316.449 2.445 20 30 DEEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665385036 425558220 /nfs/dbraw/zinc/55/82/20/425558220.db2.gz UPAITGKECHBCEB-IAGOWNOFSA-N 2 2 324.513 2.304 20 30 DEEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665385036 425558224 /nfs/dbraw/zinc/55/82/24/425558224.db2.gz UPAITGKECHBCEB-IAGOWNOFSA-N 2 2 324.513 2.304 20 30 DEEDLP C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665385037 425558283 /nfs/dbraw/zinc/55/82/83/425558283.db2.gz UPAITGKECHBCEB-IRXDYDNUSA-N 2 2 324.513 2.304 20 30 DEEDLP C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665385037 425558287 /nfs/dbraw/zinc/55/82/87/425558287.db2.gz UPAITGKECHBCEB-IRXDYDNUSA-N 2 2 324.513 2.304 20 30 DEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1c(F)cccc1Cl ZINC000261790048 526355701 /nfs/dbraw/zinc/35/57/01/526355701.db2.gz IDKITLPCDZHZQZ-UHFFFAOYSA-N 2 2 312.820 2.192 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341506069 526451285 /nfs/dbraw/zinc/45/12/85/526451285.db2.gz HPTPTNOZHOEEDK-UHFFFAOYSA-N 2 2 314.477 2.286 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278515 526623821 /nfs/dbraw/zinc/62/38/21/526623821.db2.gz AEQWTNWAKLQNCV-SJORKVTESA-N 2 2 307.482 2.121 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278515 526623823 /nfs/dbraw/zinc/62/38/23/526623823.db2.gz AEQWTNWAKLQNCV-SJORKVTESA-N 2 2 307.482 2.121 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341434585 527148962 /nfs/dbraw/zinc/14/89/62/527148962.db2.gz KEEIQSHWZKRDJE-CVEARBPZSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341434585 527148964 /nfs/dbraw/zinc/14/89/64/527148964.db2.gz KEEIQSHWZKRDJE-CVEARBPZSA-N 2 2 322.497 2.151 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000365644662 527457184 /nfs/dbraw/zinc/45/71/84/527457184.db2.gz XXMHVIWUGQDQQS-SJORKVTESA-N 2 2 310.401 2.205 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000365644662 527457187 /nfs/dbraw/zinc/45/71/87/527457187.db2.gz XXMHVIWUGQDQQS-SJORKVTESA-N 2 2 310.401 2.205 20 30 DEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)c1ccsc1 ZINC000264131909 528234321 /nfs/dbraw/zinc/23/43/21/528234321.db2.gz YEJHFKWRHNSTMK-JSGCOSHPSA-N 2 2 312.483 2.070 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001369741329 1149128715 /nfs/dbraw/zinc/12/87/15/1149128715.db2.gz BVNYHWGLRWCOGS-ZFWWWQNUSA-N 2 2 324.856 2.372 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001026518032 625494017 /nfs/dbraw/zinc/49/40/17/625494017.db2.gz YJINAUTVVQNHKG-FHERZECASA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969797150 622924026 /nfs/dbraw/zinc/92/40/26/622924026.db2.gz NNFUCGKFAMCAMY-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969797150 622924028 /nfs/dbraw/zinc/92/40/28/622924028.db2.gz NNFUCGKFAMCAMY-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645761 623896691 /nfs/dbraw/zinc/89/66/91/623896691.db2.gz MPONJPNCQHORPM-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645761 623896693 /nfs/dbraw/zinc/89/66/93/623896693.db2.gz MPONJPNCQHORPM-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722991 624005794 /nfs/dbraw/zinc/00/57/94/624005794.db2.gz RBLKXIVQHAMZDH-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722991 624005799 /nfs/dbraw/zinc/00/57/99/624005799.db2.gz RBLKXIVQHAMZDH-RDJZCZTQSA-N 2 2 316.449 2.150 20 30 DEEDLP COc1ccc(CC(N)=[NH+]OCC[NH+]2CCCCC2)cc1OC ZINC000194388532 625711504 /nfs/dbraw/zinc/71/15/04/625711504.db2.gz PXJLSFSOMRXMFK-UHFFFAOYSA-N 2 2 321.421 2.021 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647147 625949020 /nfs/dbraw/zinc/94/90/20/625949020.db2.gz JQMJFYLZHOVQTB-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996280028 633227743 /nfs/dbraw/zinc/22/77/43/633227743.db2.gz WTWNOLDERRQPQY-DZGCQCFKSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974741394 633282115 /nfs/dbraw/zinc/28/21/15/633282115.db2.gz NBNPZMAOJUAOHH-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974741394 633282125 /nfs/dbraw/zinc/28/21/25/633282125.db2.gz NBNPZMAOJUAOHH-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975043108 633395507 /nfs/dbraw/zinc/39/55/07/633395507.db2.gz PYXKVTFFPZFIQU-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975043108 633395516 /nfs/dbraw/zinc/39/55/16/633395516.db2.gz PYXKVTFFPZFIQU-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C=CC[NH+]1CCC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001001408863 635488876 /nfs/dbraw/zinc/48/88/76/635488876.db2.gz SMRDFNZFTQTZQB-UHFFFAOYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485826 635500226 /nfs/dbraw/zinc/50/02/26/635500226.db2.gz LUFLBUFTOCEPAI-QWHCGFSZSA-N 2 2 310.829 2.030 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982060742 635849978 /nfs/dbraw/zinc/84/99/78/635849978.db2.gz DHCPUULPNDBJND-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982060742 635849982 /nfs/dbraw/zinc/84/99/82/635849982.db2.gz DHCPUULPNDBJND-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982060742 635849987 /nfs/dbraw/zinc/84/99/87/635849987.db2.gz DHCPUULPNDBJND-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982060742 635849992 /nfs/dbraw/zinc/84/99/92/635849992.db2.gz DHCPUULPNDBJND-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687127 636624626 /nfs/dbraw/zinc/62/46/26/636624626.db2.gz HKNCLOGETSPSSW-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028687127 636624628 /nfs/dbraw/zinc/62/46/28/636624628.db2.gz HKNCLOGETSPSSW-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC000986541496 639924043 /nfs/dbraw/zinc/92/40/43/639924043.db2.gz AQHJIQNBAQARMX-OLZOCXBDSA-N 2 2 318.808 2.279 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)c(F)c1 ZINC000776738556 642202054 /nfs/dbraw/zinc/20/20/54/642202054.db2.gz DMDJLOKUEFHTIO-RCBQFDQVSA-N 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C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154388226 647996339 /nfs/dbraw/zinc/99/63/39/647996339.db2.gz OIDZKBBIWJCFOU-UKRRQHHQSA-N 2 2 312.841 2.391 20 30 DEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917415434 648000135 /nfs/dbraw/zinc/00/01/35/648000135.db2.gz TZXCYGAWCCEZJO-KRWDZBQOSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917415434 648000137 /nfs/dbraw/zinc/00/01/37/648000137.db2.gz TZXCYGAWCCEZJO-KRWDZBQOSA-N 2 2 304.434 2.140 20 30 DEEDLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cn1 ZINC000822785049 648286458 /nfs/dbraw/zinc/28/64/58/648286458.db2.gz KTQHBZFFMPEJLS-CYBMUJFWSA-N 2 2 323.360 2.319 20 30 DEEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000939460170 648656715 /nfs/dbraw/zinc/65/67/15/648656715.db2.gz YHBHDNBRTATGLV-RHSMWYFYSA-N 2 2 310.401 2.108 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838459 648953845 /nfs/dbraw/zinc/95/38/45/648953845.db2.gz GMBGHBCKGYFDKJ-KRWDZBQOSA-N 2 2 324.428 2.417 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838459 648953848 /nfs/dbraw/zinc/95/38/48/648953848.db2.gz GMBGHBCKGYFDKJ-KRWDZBQOSA-N 2 2 324.428 2.417 20 30 DEEDLP C#C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000827566252 649052068 /nfs/dbraw/zinc/05/20/68/649052068.db2.gz UKKHAMCSNJSNSF-INIZCTEOSA-N 2 2 301.415 2.452 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053855 649145088 /nfs/dbraw/zinc/14/50/88/649145088.db2.gz UYRUQAIAERJBPZ-YOEHRIQHSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053855 649145091 /nfs/dbraw/zinc/14/50/91/649145091.db2.gz UYRUQAIAERJBPZ-YOEHRIQHSA-N 2 2 324.428 2.106 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942484664 649226941 /nfs/dbraw/zinc/22/69/41/649226941.db2.gz DNPYQKQPVMQURI-HUUCEWRRSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942484664 649226943 /nfs/dbraw/zinc/22/69/43/649226943.db2.gz DNPYQKQPVMQURI-HUUCEWRRSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204756 693881333 /nfs/dbraw/zinc/88/13/33/693881333.db2.gz CNTSGMRXECJNBA-SJLPKXTDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204756 693881335 /nfs/dbraw/zinc/88/13/35/693881335.db2.gz CNTSGMRXECJNBA-SJLPKXTDSA-N 2 2 316.449 2.335 20 30 DEEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303770681 685232923 /nfs/dbraw/zinc/23/29/23/685232923.db2.gz CAVGMUVCDQLIPW-KRWDZBQOSA-N 2 2 318.465 2.332 20 30 DEEDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866255397 687510000 /nfs/dbraw/zinc/51/00/00/687510000.db2.gz RZEGKTVSBZDQHG-AWEZNQCLSA-N 2 2 317.433 2.415 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016689408 687682619 /nfs/dbraw/zinc/68/26/19/687682619.db2.gz ZNDBYVPMFHWJAU-INIZCTEOSA-N 2 2 310.401 2.333 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001017636907 687928659 /nfs/dbraw/zinc/92/86/59/687928659.db2.gz ZOUNOHHRDYDVAS-QKPAOTATSA-N 2 2 314.433 2.155 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001017636907 687928664 /nfs/dbraw/zinc/92/86/64/687928664.db2.gz ZOUNOHHRDYDVAS-QKPAOTATSA-N 2 2 314.433 2.155 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018012156 688027969 /nfs/dbraw/zinc/02/79/69/688027969.db2.gz MWWVSJRBAACEKS-IYBDPMFKSA-N 2 2 316.449 2.258 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018012156 688027973 /nfs/dbraw/zinc/02/79/73/688027973.db2.gz MWWVSJRBAACEKS-IYBDPMFKSA-N 2 2 316.449 2.258 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)OCc2c(C)cc(C)[nH+]c2C)CC1 ZINC000869397382 688294274 /nfs/dbraw/zinc/29/42/74/688294274.db2.gz GIBDKPZGXSHCSV-UHFFFAOYSA-N 2 2 300.402 2.395 20 30 DEEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872157278 688941509 /nfs/dbraw/zinc/94/15/09/688941509.db2.gz ODRDVJWAOCTRPL-INIZCTEOSA-N 2 2 303.406 2.223 20 30 DEEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872157278 688941512 /nfs/dbraw/zinc/94/15/12/688941512.db2.gz ODRDVJWAOCTRPL-INIZCTEOSA-N 2 2 303.406 2.223 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001032469516 689158933 /nfs/dbraw/zinc/15/89/33/689158933.db2.gz QBUBMNRTIUARGB-HOTGVXAUSA-N 2 2 316.449 2.178 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001032469516 689158935 /nfs/dbraw/zinc/15/89/35/689158935.db2.gz QBUBMNRTIUARGB-HOTGVXAUSA-N 2 2 316.449 2.178 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033096506 689386077 /nfs/dbraw/zinc/38/60/77/689386077.db2.gz NFOFKNRVDZVNOS-QLFBSQMISA-N 2 2 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C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748276 782914787 /nfs/dbraw/zinc/91/47/87/782914787.db2.gz RJULCXQLZOGAIH-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748276 782914792 /nfs/dbraw/zinc/91/47/92/782914792.db2.gz RJULCXQLZOGAIH-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106749886 782916370 /nfs/dbraw/zinc/91/63/70/782916370.db2.gz KBNKBXYBMXWIOU-YRGRVCCFSA-N 2 2 324.856 2.025 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106749886 782916374 /nfs/dbraw/zinc/91/63/74/782916374.db2.gz KBNKBXYBMXWIOU-YRGRVCCFSA-N 2 2 324.856 2.025 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422410 777016270 /nfs/dbraw/zinc/01/62/70/777016270.db2.gz ONFDAJXLTOCYHR-HNNXBMFYSA-N 2 2 318.465 2.431 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422410 777016275 /nfs/dbraw/zinc/01/62/75/777016275.db2.gz ONFDAJXLTOCYHR-HNNXBMFYSA-N 2 2 318.465 2.431 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167976359 779139043 /nfs/dbraw/zinc/13/90/43/779139043.db2.gz BGLZIYQAZRMDNJ-OAHLLOKOSA-N 2 2 306.454 2.431 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167976359 779139047 /nfs/dbraw/zinc/13/90/47/779139047.db2.gz BGLZIYQAZRMDNJ-OAHLLOKOSA-N 2 2 306.454 2.431 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777186 780974645 /nfs/dbraw/zinc/97/46/45/780974645.db2.gz KQTZCTHYMFRBIN-PBHICJAKSA-N 2 2 310.401 2.251 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777186 780974650 /nfs/dbraw/zinc/97/46/50/780974650.db2.gz KQTZCTHYMFRBIN-PBHICJAKSA-N 2 2 310.401 2.251 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085812478 784104660 /nfs/dbraw/zinc/10/46/60/784104660.db2.gz DXGMPQZMFVZJEB-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085812478 784104663 /nfs/dbraw/zinc/10/46/63/784104663.db2.gz DXGMPQZMFVZJEB-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670795 785479979 /nfs/dbraw/zinc/47/99/79/785479979.db2.gz FHONAPRYEDKDPX-XHSDSOJGSA-N 2 2 316.449 2.278 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699824 785498583 /nfs/dbraw/zinc/49/85/83/785498583.db2.gz MYOMGIFCKPDSKD-UAGQMJEPSA-N 2 2 316.449 2.278 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699824 785498590 /nfs/dbraw/zinc/49/85/90/785498590.db2.gz MYOMGIFCKPDSKD-UAGQMJEPSA-N 2 2 316.449 2.278 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529601 786663480 /nfs/dbraw/zinc/66/34/80/786663480.db2.gz XEYPHQYNSBCJSI-SFHVURJKSA-N 2 2 315.461 2.400 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529601 786663484 /nfs/dbraw/zinc/66/34/84/786663484.db2.gz XEYPHQYNSBCJSI-SFHVURJKSA-N 2 2 315.461 2.400 20 30 DEEDLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC001131560696 787650063 /nfs/dbraw/zinc/65/00/63/787650063.db2.gz ZYWCCQHQRQNICB-UHFFFAOYSA-N 2 2 322.412 2.398 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132024495 787884739 /nfs/dbraw/zinc/88/47/39/787884739.db2.gz GXTLNGUIANTYSR-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132024495 787884755 /nfs/dbraw/zinc/88/47/55/787884755.db2.gz GXTLNGUIANTYSR-HUUCEWRRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086696282 788225834 /nfs/dbraw/zinc/22/58/34/788225834.db2.gz CYACIMCJJXESNK-GOEBONIOSA-N 2 2 312.417 2.317 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132997107 788251566 /nfs/dbraw/zinc/25/15/66/788251566.db2.gz GHKIMJDHPXGAQP-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732077 789063465 /nfs/dbraw/zinc/06/34/65/789063465.db2.gz CPQGQJQKCUHVSL-GJZGRUSLSA-N 2 2 319.449 2.472 20 30 DEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170782726 789148601 /nfs/dbraw/zinc/14/86/01/789148601.db2.gz BXSORCBXYDDASM-AWEZNQCLSA-N 2 2 312.417 2.154 20 30 DEEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560660 791313247 /nfs/dbraw/zinc/31/32/47/791313247.db2.gz CJLYWFSBGNCVLP-ZIAGYGMSSA-N 2 2 321.490 2.165 20 30 DEEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560660 791313256 /nfs/dbraw/zinc/31/32/56/791313256.db2.gz CJLYWFSBGNCVLP-ZIAGYGMSSA-N 2 2 321.490 2.165 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091635708 791562498 /nfs/dbraw/zinc/56/24/98/791562498.db2.gz VJUXJZDGGRDQJY-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091635708 791562503 /nfs/dbraw/zinc/56/25/03/791562503.db2.gz VJUXJZDGGRDQJY-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604515 791773920 /nfs/dbraw/zinc/77/39/20/791773920.db2.gz HNEJWHVCAZESMK-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604515 791773923 /nfs/dbraw/zinc/77/39/23/791773923.db2.gz HNEJWHVCAZESMK-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935403 791855354 /nfs/dbraw/zinc/85/53/54/791855354.db2.gz QIEONUOATPGGJR-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086946278 791858753 /nfs/dbraw/zinc/85/87/53/791858753.db2.gz VDGCYDYWOJAKMJ-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959419 791864992 /nfs/dbraw/zinc/86/49/92/791864992.db2.gz DBTKJKNTWQHGAZ-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486692 793095648 /nfs/dbraw/zinc/09/56/48/793095648.db2.gz NEDIUEUKPFCJDR-HNNXBMFYSA-N 2 2 319.449 2.473 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604748 793147168 /nfs/dbraw/zinc/14/71/68/793147168.db2.gz KFYWSBCPJKXHSE-UKRRQHHQSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604748 793147175 /nfs/dbraw/zinc/14/71/75/793147175.db2.gz KFYWSBCPJKXHSE-UKRRQHHQSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605426 793148300 /nfs/dbraw/zinc/14/83/00/793148300.db2.gz NOPRDAFBOHJMNM-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454528 793621235 /nfs/dbraw/zinc/62/12/35/793621235.db2.gz IFUSKENNPHVTTJ-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454528 793621242 /nfs/dbraw/zinc/62/12/42/793621242.db2.gz IFUSKENNPHVTTJ-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454528 793621245 /nfs/dbraw/zinc/62/12/45/793621245.db2.gz IFUSKENNPHVTTJ-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454528 793621250 /nfs/dbraw/zinc/62/12/50/793621250.db2.gz IFUSKENNPHVTTJ-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472278 794105418 /nfs/dbraw/zinc/10/54/18/794105418.db2.gz LVJVYWLIJXWZTB-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472278 794105435 /nfs/dbraw/zinc/10/54/35/794105435.db2.gz LVJVYWLIJXWZTB-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178595389 794948915 /nfs/dbraw/zinc/94/89/15/794948915.db2.gz VGEJVWKFRILVNJ-KKUMJFAQSA-N 2 2 304.438 2.276 20 30 DEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176300 795073847 /nfs/dbraw/zinc/07/38/47/795073847.db2.gz PVYNDWPJQWMLHK-UHFFFAOYSA-N 2 2 312.845 2.292 20 30 DEEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121295095 795612978 /nfs/dbraw/zinc/61/29/78/795612978.db2.gz OXWZGULIDDFFNF-UHFFFAOYSA-N 2 2 322.412 2.217 20 30 DEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183164950 795824165 /nfs/dbraw/zinc/82/41/65/795824165.db2.gz GQKCIMIAKYUDMU-CRAIPNDOSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183562791 795888966 /nfs/dbraw/zinc/88/89/66/795888966.db2.gz RLEMWUCDDNVSJZ-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533910 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C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173590995 198230612 /nfs/dbraw/zinc/23/06/12/198230612.db2.gz QTKHNNPDCBJHFX-ZWKOTPCHSA-N 2 2 319.493 2.383 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173590995 198230613 /nfs/dbraw/zinc/23/06/13/198230613.db2.gz QTKHNNPDCBJHFX-ZWKOTPCHSA-N 2 2 319.493 2.383 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(C)(C)C#N)c2cc1C ZINC000591759588 357757576 /nfs/dbraw/zinc/75/75/76/357757576.db2.gz ONINFLGCDHTWQN-CQSZACIVSA-N 2 2 300.406 2.153 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000593323917 358054418 /nfs/dbraw/zinc/05/44/18/358054418.db2.gz SXWYPIWOTZLYPH-HKUYNNGSSA-N 3 2 312.461 2.240 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000593323919 358054681 /nfs/dbraw/zinc/05/46/81/358054681.db2.gz SXWYPIWOTZLYPH-MJGOQNOKSA-N 3 2 312.461 2.240 20 30 DEEDLP Cc1cn[nH]c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693362 358124423 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DEEDLP Cc1nsc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000288249464 220043347 /nfs/dbraw/zinc/04/33/47/220043347.db2.gz XQXRDJHNMGRONF-UHFFFAOYSA-N 2 2 319.478 2.294 20 30 DEEDLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000288509341 220188790 /nfs/dbraw/zinc/18/87/90/220188790.db2.gz IRPQDTDQGKWUIX-UHFFFAOYSA-N 2 2 314.389 2.167 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000104719881 194031823 /nfs/dbraw/zinc/03/18/23/194031823.db2.gz ABARJZHXBWGWDQ-UHFFFAOYSA-N 2 2 308.385 2.284 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370696931 148046088 /nfs/dbraw/zinc/04/60/88/148046088.db2.gz IQTQPDZIWZRMJU-WMLDXEAASA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370696931 148046090 /nfs/dbraw/zinc/04/60/90/148046090.db2.gz IQTQPDZIWZRMJU-WMLDXEAASA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000127192317 401724403 /nfs/dbraw/zinc/72/44/03/401724403.db2.gz GQTZABHQEIWCTG-IVMQYODDSA-N 2 2 313.445 2.168 20 30 DEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000130348959 401828182 /nfs/dbraw/zinc/82/81/82/401828182.db2.gz NOQONVIJRXUKLA-UHFFFAOYSA-N 2 2 311.389 2.024 20 30 DEEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000130348959 401828183 /nfs/dbraw/zinc/82/81/83/401828183.db2.gz NOQONVIJRXUKLA-UHFFFAOYSA-N 2 2 311.389 2.024 20 30 DEEDLP C=CCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090883739 401988891 /nfs/dbraw/zinc/98/88/91/401988891.db2.gz KOPNVCBQVDLMNZ-WMZOPIPTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090883739 401988892 /nfs/dbraw/zinc/98/88/92/401988892.db2.gz KOPNVCBQVDLMNZ-WMZOPIPTSA-N 2 2 303.450 2.474 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000170914939 402541345 /nfs/dbraw/zinc/54/13/45/402541345.db2.gz LHCDCPQCUOMHEP-UHFFFAOYSA-N 2 2 304.438 2.086 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NCC[N@H+]2CCOCC2(C)C)c1 ZINC000170914939 402541347 /nfs/dbraw/zinc/54/13/47/402541347.db2.gz LHCDCPQCUOMHEP-UHFFFAOYSA-N 2 2 304.438 2.086 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274861742 403095349 /nfs/dbraw/zinc/09/53/49/403095349.db2.gz UMEOHZOAUIXOKY-RYRKJORJSA-N 2 2 315.461 2.177 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274861742 403095351 /nfs/dbraw/zinc/09/53/51/403095351.db2.gz UMEOHZOAUIXOKY-RYRKJORJSA-N 2 2 315.461 2.177 20 30 DEEDLP CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C[C@H](C)C#N ZINC000303104888 403748495 /nfs/dbraw/zinc/74/84/95/403748495.db2.gz BRSYPAFPIISEEY-CZUORRHYSA-N 2 2 314.433 2.496 20 30 DEEDLP CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C[C@H](C)C#N ZINC000303104888 403748501 /nfs/dbraw/zinc/74/85/01/403748501.db2.gz BRSYPAFPIISEEY-CZUORRHYSA-N 2 2 314.433 2.496 20 30 DEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238312 404000385 /nfs/dbraw/zinc/00/03/85/404000385.db2.gz ISJYEPNJMIBFIJ-UNEWFSDZSA-N 2 2 316.424 2.206 20 30 DEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238312 404000395 /nfs/dbraw/zinc/00/03/95/404000395.db2.gz ISJYEPNJMIBFIJ-UNEWFSDZSA-N 2 2 316.424 2.206 20 30 DEEDLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1C ZINC000329009471 404199294 /nfs/dbraw/zinc/19/92/94/404199294.db2.gz DDMZXEIBELHIDW-KGLIPLIRSA-N 2 2 315.421 2.163 20 30 DEEDLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1C ZINC000329009471 404199304 /nfs/dbraw/zinc/19/93/04/404199304.db2.gz DDMZXEIBELHIDW-KGLIPLIRSA-N 2 2 315.421 2.163 20 30 DEEDLP CCC[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000330001734 404522984 /nfs/dbraw/zinc/52/29/84/404522984.db2.gz YGVRMAIWFKZPRA-UHFFFAOYSA-N 2 2 315.421 2.212 20 30 DEEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330204614 404584650 /nfs/dbraw/zinc/58/46/50/404584650.db2.gz BUNHQXHOGCOGJU-OAHLLOKOSA-N 2 2 302.422 2.345 20 30 DEEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@H+]1C1CC1 ZINC000330204614 404584652 /nfs/dbraw/zinc/58/46/52/404584652.db2.gz BUNHQXHOGCOGJU-OAHLLOKOSA-N 2 2 302.422 2.345 20 30 DEEDLP C=CCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364856002 404540799 /nfs/dbraw/zinc/54/07/99/404540799.db2.gz NXSSEIGRFDHNGB-KRWDZBQOSA-N 2 2 322.497 2.153 20 30 DEEDLP C=CCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364856002 404540801 /nfs/dbraw/zinc/54/08/01/404540801.db2.gz NXSSEIGRFDHNGB-KRWDZBQOSA-N 2 2 322.497 2.153 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353449002 404833952 /nfs/dbraw/zinc/83/39/52/404833952.db2.gz LYFKOGGDKBDJCO-MAUKXSAKSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353449002 404833953 /nfs/dbraw/zinc/83/39/53/404833953.db2.gz LYFKOGGDKBDJCO-MAUKXSAKSA-N 2 2 307.482 2.216 20 30 DEEDLP Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C#N)c[nH+]1 ZINC000425218171 405259462 /nfs/dbraw/zinc/25/94/62/405259462.db2.gz CQCOIQJWQNECNC-UHFFFAOYSA-N 2 2 314.433 2.200 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423212575 405724302 /nfs/dbraw/zinc/72/43/02/405724302.db2.gz JXBCZLLNTFMPGG-YOFSQIOKSA-N 3 2 324.472 2.395 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193447 406048817 /nfs/dbraw/zinc/04/88/17/406048817.db2.gz IFXBZZZJANZCME-KRWDZBQOSA-N 2 2 302.422 2.374 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069152 406249777 /nfs/dbraw/zinc/24/97/77/406249777.db2.gz WADRPTNINAQQGM-UKRRQHHQSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069152 406249781 /nfs/dbraw/zinc/24/97/81/406249781.db2.gz WADRPTNINAQQGM-UKRRQHHQSA-N 2 2 323.400 2.108 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768824 406709352 /nfs/dbraw/zinc/70/93/52/406709352.db2.gz JNEJCQBVOPLXCY-INIZCTEOSA-N 2 2 313.445 2.419 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768824 406709360 /nfs/dbraw/zinc/70/93/60/406709360.db2.gz JNEJCQBVOPLXCY-INIZCTEOSA-N 2 2 313.445 2.419 20 30 DEEDLP C=CCC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000641786734 406891546 /nfs/dbraw/zinc/89/15/46/406891546.db2.gz RVBROOPBOUXBMQ-MOPGFXCFSA-N 2 2 321.509 2.117 20 30 DEEDLP Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(C)[nH+]1 ZINC000331349188 226083439 /nfs/dbraw/zinc/08/34/39/226083439.db2.gz XREKAYUEKGSREI-UHFFFAOYSA-N 2 2 320.437 2.444 20 30 DEEDLP Cc1cc(C)c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(C)[nH+]1 ZINC000331349188 226083442 /nfs/dbraw/zinc/08/34/42/226083442.db2.gz XREKAYUEKGSREI-UHFFFAOYSA-N 2 2 320.437 2.444 20 30 DEEDLP Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)ccc1C#N ZINC000443959424 425046728 /nfs/dbraw/zinc/04/67/28/425046728.db2.gz BIMBLOJITGCYCO-UHFFFAOYSA-N 2 2 321.428 2.626 20 30 DEEDLP CNC(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)=[NH+]C ZINC000264086882 290331885 /nfs/dbraw/zinc/33/18/85/290331885.db2.gz JQWCIBWZVCSBQB-ZDUSSCGKSA-N 2 2 312.820 2.411 20 30 DEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000548782686 341275452 /nfs/dbraw/zinc/27/54/52/341275452.db2.gz JBGFLPNXGNXNEU-INIZCTEOSA-N 2 2 312.417 2.052 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001378228299 1152235968 /nfs/dbraw/zinc/23/59/68/1152235968.db2.gz HXDNULMYOJCCBQ-GDBMZVCRSA-N 2 2 323.868 2.478 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001378228299 1152235971 /nfs/dbraw/zinc/23/59/71/1152235971.db2.gz HXDNULMYOJCCBQ-GDBMZVCRSA-N 2 2 323.868 2.478 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001357338160 1152290561 /nfs/dbraw/zinc/29/05/61/1152290561.db2.gz PTPXFEMBXFGJEV-OAHLLOKOSA-N 2 2 307.463 2.076 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001399830541 1161582522 /nfs/dbraw/zinc/58/25/22/1161582522.db2.gz YIKAQXYSQKACCU-MRXNPFEDSA-N 2 2 323.868 2.480 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000331813327 534813105 /nfs/dbraw/zinc/81/31/05/534813105.db2.gz UBXIQBXMVGQYOY-WFASDCNBSA-N 2 2 302.403 2.363 20 30 DEEDLP CC(C)Oc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1 ZINC000262311349 528208606 /nfs/dbraw/zinc/20/86/06/528208606.db2.gz NZDXDQYTTYQBRZ-BBRMVZONSA-N 2 2 304.438 2.014 20 30 DEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)c1ccsc1 ZINC000264131911 528234354 /nfs/dbraw/zinc/23/43/54/528234354.db2.gz YEJHFKWRHNSTMK-OCCSQVGLSA-N 2 2 312.483 2.070 20 30 DEEDLP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2C1 ZINC001327698820 1148626870 /nfs/dbraw/zinc/62/68/70/1148626870.db2.gz LEGWZYVMWGXZSG-UHFFFAOYSA-N 2 2 310.401 2.091 20 30 DEEDLP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2C1 ZINC001327698820 1148626878 /nfs/dbraw/zinc/62/68/78/1148626878.db2.gz LEGWZYVMWGXZSG-UHFFFAOYSA-N 2 2 310.401 2.091 20 30 DEEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001026318134 625293581 /nfs/dbraw/zinc/29/35/81/625293581.db2.gz UBDBEWNCYSRJDU-YESZJQIVSA-N 2 2 311.429 2.080 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001026514578 625492312 /nfs/dbraw/zinc/49/23/12/625492312.db2.gz JPRDVWHVXBPRAL-UHFFFAOYSA-N 2 2 317.433 2.226 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001026518378 625493995 /nfs/dbraw/zinc/49/39/95/625493995.db2.gz RJWGTDYPGLPLGN-QQFBHYJXSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970681367 623614709 /nfs/dbraw/zinc/61/47/09/623614709.db2.gz LMCXNUQOJKMKRJ-HNNXBMFYSA-N 2 2 324.428 2.499 20 30 DEEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576697 625900207 /nfs/dbraw/zinc/90/02/07/625900207.db2.gz YITCPXBQXMOOGJ-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024576697 625900212 /nfs/dbraw/zinc/90/02/12/625900212.db2.gz YITCPXBQXMOOGJ-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000999467150 634600518 /nfs/dbraw/zinc/60/05/18/634600518.db2.gz PTTMVGMXDBSEEI-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000162566 634772785 /nfs/dbraw/zinc/77/27/85/634772785.db2.gz YGFSGGXHHYXOFO-CHWSQXEVSA-N 2 2 322.840 2.163 20 30 DEEDLP C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000996715278 633368126 /nfs/dbraw/zinc/36/81/26/633368126.db2.gz HNWSSSSFQHJWCP-UHFFFAOYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449040 633802307 /nfs/dbraw/zinc/80/23/07/633802307.db2.gz PPHWRALTYVVGCP-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449040 633802311 /nfs/dbraw/zinc/80/23/11/633802311.db2.gz PPHWRALTYVVGCP-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449040 633802313 /nfs/dbraw/zinc/80/23/13/633802313.db2.gz PPHWRALTYVVGCP-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449040 633802316 /nfs/dbraw/zinc/80/23/16/633802316.db2.gz PPHWRALTYVVGCP-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609996 634279423 /nfs/dbraw/zinc/27/94/23/634279423.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001027609996 634279425 /nfs/dbraw/zinc/27/94/25/634279425.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027609996 634279429 /nfs/dbraw/zinc/27/94/29/634279429.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001027609996 634279433 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DEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498443 636470228 /nfs/dbraw/zinc/47/02/28/636470228.db2.gz HLCMVGLSIBFUMG-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498443 636470233 /nfs/dbraw/zinc/47/02/33/636470233.db2.gz HLCMVGLSIBFUMG-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CSC3)CC2)cc1 ZINC000895421299 638019555 /nfs/dbraw/zinc/01/95/55/638019555.db2.gz FAYDMSVUDYUYLL-UHFFFAOYSA-N 2 2 301.459 2.475 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000986287205 639870206 /nfs/dbraw/zinc/87/02/06/639870206.db2.gz KKAYWAMUGMXZLW-GDBMZVCRSA-N 2 2 312.417 2.411 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903177494 643277644 /nfs/dbraw/zinc/27/76/44/643277644.db2.gz NWJXUQFFQFFVSE-ZDUSSCGKSA-N 2 2 305.378 2.209 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903177494 643277648 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C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001382347613 1153431714 /nfs/dbraw/zinc/43/17/14/1153431714.db2.gz HKBREUHNSYUTKQ-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001382347613 1153431717 /nfs/dbraw/zinc/43/17/17/1153431717.db2.gz HKBREUHNSYUTKQ-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001371577473 1155876376 /nfs/dbraw/zinc/87/63/76/1155876376.db2.gz GJPRRMQZHHFOST-GFCCVEGCSA-N 2 2 318.808 2.367 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001372811035 1156800626 /nfs/dbraw/zinc/80/06/26/1156800626.db2.gz YDVHQKPKOIOQKA-LSDHHAIUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001372811035 1156800627 /nfs/dbraw/zinc/80/06/27/1156800627.db2.gz YDVHQKPKOIOQKA-LSDHHAIUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001372811035 1156800630 /nfs/dbraw/zinc/80/06/30/1156800630.db2.gz YDVHQKPKOIOQKA-LSDHHAIUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001372811035 1156800631 /nfs/dbraw/zinc/80/06/31/1156800631.db2.gz YDVHQKPKOIOQKA-LSDHHAIUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001375889016 1158927738 /nfs/dbraw/zinc/92/77/38/1158927738.db2.gz LCGHCNBKKUONCU-HOCLYGCPSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001398457272 1160896763 /nfs/dbraw/zinc/89/67/63/1160896763.db2.gz KRBIFEUSBDPGRL-OAHLLOKOSA-N 2 2 324.856 2.114 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001398457272 1160896764 /nfs/dbraw/zinc/89/67/64/1160896764.db2.gz KRBIFEUSBDPGRL-OAHLLOKOSA-N 2 2 324.856 2.114 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001399830541 1161582517 /nfs/dbraw/zinc/58/25/17/1161582517.db2.gz YIKAQXYSQKACCU-MRXNPFEDSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001405027655 1163898453 /nfs/dbraw/zinc/89/84/53/1163898453.db2.gz VGZVYGBEJSUONZ-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001405027655 1163898455 /nfs/dbraw/zinc/89/84/55/1163898455.db2.gz VGZVYGBEJSUONZ-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001405839544 1164282814 /nfs/dbraw/zinc/28/28/14/1164282814.db2.gz SWIJPLSFSABYNX-LLVKDONJSA-N 2 2 306.797 2.366 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001418934841 1168077516 /nfs/dbraw/zinc/07/75/16/1168077516.db2.gz WDQHOXAAKHYOGE-GJZGRUSLSA-N 2 2 324.856 2.367 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001418934841 1168077524 /nfs/dbraw/zinc/07/75/24/1168077524.db2.gz WDQHOXAAKHYOGE-GJZGRUSLSA-N 2 2 324.856 2.367 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001420430707 1169538003 /nfs/dbraw/zinc/53/80/03/1169538003.db2.gz DRKCAAAIAPSTJD-KBPBESRZSA-N 2 2 312.845 2.317 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001421424987 1171791327 /nfs/dbraw/zinc/79/13/27/1171791327.db2.gz ISQTWZYKTDSTLP-LBPRGKRZSA-N 2 2 306.797 2.185 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001437521812 1179835089 /nfs/dbraw/zinc/83/50/89/1179835089.db2.gz CKEYAECCXQKELG-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001437521812 1179835090 /nfs/dbraw/zinc/83/50/90/1179835090.db2.gz CKEYAECCXQKELG-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001437521812 1179835094 /nfs/dbraw/zinc/83/50/94/1179835094.db2.gz CKEYAECCXQKELG-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001437521812 1179835096 /nfs/dbraw/zinc/83/50/96/1179835096.db2.gz CKEYAECCXQKELG-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001333076265 1149988032 /nfs/dbraw/zinc/98/80/32/1149988032.db2.gz WKCOBWSHWBANRR-IUDNXUCKSA-N 2 2 304.438 2.276 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001333076265 1149988045 /nfs/dbraw/zinc/98/80/45/1149988045.db2.gz WKCOBWSHWBANRR-IUDNXUCKSA-N 2 2 304.438 2.276 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748277 782914694 /nfs/dbraw/zinc/91/46/94/782914694.db2.gz RJULCXQLZOGAIH-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748277 782914700 /nfs/dbraw/zinc/91/47/00/782914700.db2.gz RJULCXQLZOGAIH-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104273327 776868956 /nfs/dbraw/zinc/86/89/56/776868956.db2.gz RVHXIJIUFZUAPL-TZMCWYRMSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104273327 776868962 /nfs/dbraw/zinc/86/89/62/776868962.db2.gz RVHXIJIUFZUAPL-TZMCWYRMSA-N 2 2 324.856 2.169 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426352 777018696 /nfs/dbraw/zinc/01/86/96/777018696.db2.gz SONCBXHHBTVFGW-HNNXBMFYSA-N 2 2 318.465 2.431 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426352 777018703 /nfs/dbraw/zinc/01/87/03/777018703.db2.gz SONCBXHHBTVFGW-HNNXBMFYSA-N 2 2 318.465 2.431 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728834 778050483 /nfs/dbraw/zinc/05/04/83/778050483.db2.gz CCXNCSGCXDAKHS-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954861 778273927 /nfs/dbraw/zinc/27/39/27/778273927.db2.gz WYPNQLWBVZZUGW-BXUZGUMPSA-N 2 2 324.856 2.087 20 30 DEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982366677 778776508 /nfs/dbraw/zinc/77/65/08/778776508.db2.gz SAUGEWYYRZPQEX-KDURUIRLSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982366677 778776514 /nfs/dbraw/zinc/77/65/14/778776514.db2.gz SAUGEWYYRZPQEX-KDURUIRLSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087620293 779380677 /nfs/dbraw/zinc/38/06/77/779380677.db2.gz YWRCUQOJPFTISK-JKSUJKDBSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087620293 779380683 /nfs/dbraw/zinc/38/06/83/779380683.db2.gz YWRCUQOJPFTISK-JKSUJKDBSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966579 779577995 /nfs/dbraw/zinc/57/79/95/779577995.db2.gz KFLSOVHUDRPEIG-SJORKVTESA-N 2 2 324.428 2.223 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966579 779578003 /nfs/dbraw/zinc/57/80/03/779578003.db2.gz KFLSOVHUDRPEIG-SJORKVTESA-N 2 2 324.428 2.223 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088656678 780695249 /nfs/dbraw/zinc/69/52/49/780695249.db2.gz AYJCEHILUZPFQW-CABCVRRESA-N 2 2 304.438 2.082 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088656678 780695255 /nfs/dbraw/zinc/69/52/55/780695255.db2.gz AYJCEHILUZPFQW-CABCVRRESA-N 2 2 304.438 2.082 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452224 783471768 /nfs/dbraw/zinc/47/17/68/783471768.db2.gz KPKZGWMRTUASFL-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452224 783471774 /nfs/dbraw/zinc/47/17/74/783471774.db2.gz KPKZGWMRTUASFL-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948452224 783471778 /nfs/dbraw/zinc/47/17/78/783471778.db2.gz KPKZGWMRTUASFL-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948452224 783471783 /nfs/dbraw/zinc/47/17/83/783471783.db2.gz KPKZGWMRTUASFL-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250229 783604109 /nfs/dbraw/zinc/60/41/09/783604109.db2.gz KXJGQFSZXPVYNG-RBSFLKMASA-N 2 2 316.449 2.026 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250229 783604112 /nfs/dbraw/zinc/60/41/12/783604112.db2.gz KXJGQFSZXPVYNG-RBSFLKMASA-N 2 2 316.449 2.026 20 30 DEEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085287183 783620626 /nfs/dbraw/zinc/62/06/26/783620626.db2.gz UVQLNGAOIPZTMV-QZTJIDSGSA-N 2 2 322.412 2.136 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109579997 785939753 /nfs/dbraw/zinc/93/97/53/785939753.db2.gz 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FZOPVVJSHONEJN-SFHVURJKSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCCC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274974294 1091497415 /nfs/dbraw/zinc/49/74/15/1091497415.db2.gz FZOPVVJSHONEJN-SFHVURJKSA-N 2 2 307.482 2.219 20 30 DEEDLP CCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275131839 1091574774 /nfs/dbraw/zinc/57/47/74/1091574774.db2.gz YLOTWLDPYNSQBT-HDICACEKSA-N 2 2 320.481 2.239 20 30 DEEDLP CCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275131839 1091574779 /nfs/dbraw/zinc/57/47/79/1091574779.db2.gz YLOTWLDPYNSQBT-HDICACEKSA-N 2 2 320.481 2.239 20 30 DEEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001275685988 1092000110 /nfs/dbraw/zinc/00/01/10/1092000110.db2.gz ZYGCBWCEPHSHPL-UHFFFAOYSA-N 2 2 318.465 2.024 20 30 DEEDLP CCCCCCCC[NH2+][C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246244974 1140877161 /nfs/dbraw/zinc/87/71/61/1140877161.db2.gz SIHWBTWTPVVQAX-GJZGRUSLSA-N 2 2 313.511 2.200 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205299 1141460626 /nfs/dbraw/zinc/46/06/26/1141460626.db2.gz HFYDXTRSAREELS-AWEZNQCLSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205299 1141460667 /nfs/dbraw/zinc/46/06/67/1141460667.db2.gz HFYDXTRSAREELS-AWEZNQCLSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001278495844 1141646514 /nfs/dbraw/zinc/64/65/14/1141646514.db2.gz WJDAJCKMJWDNDY-ARFHVFGLSA-N 2 2 316.449 2.053 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001278495849 1141646614 /nfs/dbraw/zinc/64/66/14/1141646614.db2.gz WJDAJCKMJWDNDY-BZUAXINKSA-N 2 2 316.449 2.053 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001278495938 1141647926 /nfs/dbraw/zinc/64/79/26/1141647926.db2.gz XDXBVQGLGCEWOF-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001323146501 1141817601 /nfs/dbraw/zinc/81/76/01/1141817601.db2.gz CFWNMITUTPUQAX-ZBFHGGJFSA-N 2 2 324.428 2.417 20 30 DEEDLP CC(C)(C)OC(=O)C1([NH2+][C@H]2CC[C@@H](C#N)C2)CCC([NH3+])CC1 ZINC001254634625 1143291056 /nfs/dbraw/zinc/29/10/56/1143291056.db2.gz AOQVFKOJTOFLKF-ZBUZPQQSSA-N 2 2 307.438 2.250 20 30 DEEDLP C=C[C@H]1C[C@]1([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001256853521 1143870777 /nfs/dbraw/zinc/87/07/77/1143870777.db2.gz ICNKJNNQGYHLBQ-KBXCAEBGSA-N 2 2 315.417 2.148 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279005780 1143896485 /nfs/dbraw/zinc/89/64/85/1143896485.db2.gz DXKPUEOUBSVZCQ-HOTGVXAUSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001264055576 1144451289 /nfs/dbraw/zinc/45/12/89/1144451289.db2.gz FSISIFPQEFXCHC-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001264055576 1144451290 /nfs/dbraw/zinc/45/12/90/1144451290.db2.gz FSISIFPQEFXCHC-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001264055576 1144451291 /nfs/dbraw/zinc/45/12/91/1144451291.db2.gz FSISIFPQEFXCHC-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001264055576 1144451292 /nfs/dbraw/zinc/45/12/92/1144451292.db2.gz FSISIFPQEFXCHC-PNBKFKSVSA-N 2 2 316.449 2.449 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264121806 1144474669 /nfs/dbraw/zinc/47/46/69/1144474669.db2.gz AADJOMFCMJESRV-IAGOWNOFSA-N 2 2 316.449 2.218 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001264755085 1144607862 /nfs/dbraw/zinc/60/78/62/1144607862.db2.gz HBNSVZMRYMFTLE-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001264755085 1144607863 /nfs/dbraw/zinc/60/78/63/1144607863.db2.gz HBNSVZMRYMFTLE-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265120960 1144648949 /nfs/dbraw/zinc/64/89/49/1144648949.db2.gz FFCKEJCQGGXVIT-AWEZNQCLSA-N 2 2 324.856 2.026 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265120960 1144648952 /nfs/dbraw/zinc/64/89/52/1144648952.db2.gz FFCKEJCQGGXVIT-AWEZNQCLSA-N 2 2 324.856 2.026 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265437064 1144703991 /nfs/dbraw/zinc/70/39/91/1144703991.db2.gz VFAMOTHBNCXGHV-HOCLYGCPSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265496753 1144707213 /nfs/dbraw/zinc/70/72/13/1144707213.db2.gz CAOLPDPNJYHQKS-QKPAOTATSA-N 2 2 304.438 2.426 20 30 DEEDLP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265997284 1144780825 /nfs/dbraw/zinc/78/08/25/1144780825.db2.gz LZBZHQMUEGNWGM-CXAGYDPISA-N 2 2 310.401 2.169 20 30 DEEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265997288 1144781113 /nfs/dbraw/zinc/78/11/13/1144781113.db2.gz LZBZHQMUEGNWGM-GUYCJALGSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266057756 1144801425 /nfs/dbraw/zinc/80/14/25/1144801425.db2.gz ORQHBSQIFSHACX-AWEZNQCLSA-N 2 2 324.856 2.026 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266057756 1144801426 /nfs/dbraw/zinc/80/14/26/1144801426.db2.gz ORQHBSQIFSHACX-AWEZNQCLSA-N 2 2 324.856 2.026 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001280759820 1144853689 /nfs/dbraw/zinc/85/36/89/1144853689.db2.gz ODNPHIZIUAJCRU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001280759820 1144853691 /nfs/dbraw/zinc/85/36/91/1144853691.db2.gz ODNPHIZIUAJCRU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280759820 1144853692 /nfs/dbraw/zinc/85/36/92/1144853692.db2.gz ODNPHIZIUAJCRU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280759820 1144853693 /nfs/dbraw/zinc/85/36/93/1144853693.db2.gz ODNPHIZIUAJCRU-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282716127 1145142024 /nfs/dbraw/zinc/14/20/24/1145142024.db2.gz GGMJRLBRUBDSKR-KGLIPLIRSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282716127 1145142029 /nfs/dbraw/zinc/14/20/29/1145142029.db2.gz GGMJRLBRUBDSKR-KGLIPLIRSA-N 2 2 304.438 2.134 20 30 DEEDLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC001364839912 1145621843 /nfs/dbraw/zinc/62/18/43/1145621843.db2.gz ZWOXCTORDTWQPI-UHFFFAOYSA-N 2 2 323.400 2.110 20 30 DEEDLP C#CCC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001317723390 1147747244 /nfs/dbraw/zinc/74/72/44/1147747244.db2.gz GLJZMGQSYJSXTL-SJLPKXTDSA-N 2 2 324.428 2.305 20 30 DEEDLP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC001317725361 1147747504 /nfs/dbraw/zinc/74/75/04/1147747504.db2.gz SRVHYWAPGRANQM-ZACQAIPSSA-N 2 2 324.428 2.157 20 30 DEEDLP C=CC[N@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317790338 1147752914 /nfs/dbraw/zinc/75/29/14/1147752914.db2.gz RNRHKSIMGDDNER-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317790338 1147752916 /nfs/dbraw/zinc/75/29/16/1147752916.db2.gz RNRHKSIMGDDNER-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318261319 1147805717 /nfs/dbraw/zinc/80/57/17/1147805717.db2.gz YKSMOFLPNAFXQE-HOTGVXAUSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318261319 1147805718 /nfs/dbraw/zinc/80/57/18/1147805718.db2.gz YKSMOFLPNAFXQE-HOTGVXAUSA-N 2 2 318.465 2.472 20 30 DEEDLP C[C@@H]1CCC[N@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001326583548 1148151648 /nfs/dbraw/zinc/15/16/48/1148151648.db2.gz AZMFKOMIGVILKY-OAHLLOKOSA-N 2 2 314.433 2.208 20 30 DEEDLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001326583548 1148151660 /nfs/dbraw/zinc/15/16/60/1148151660.db2.gz AZMFKOMIGVILKY-OAHLLOKOSA-N 2 2 314.433 2.208 20 30 DEEDLP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2OC)C1 ZINC000072858558 191239163 /nfs/dbraw/zinc/23/91/63/191239163.db2.gz GNFHDEMWAAWQCC-MRXNPFEDSA-N 2 2 317.433 2.219 20 30 DEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2OC)C1 ZINC000072858558 191239167 /nfs/dbraw/zinc/23/91/67/191239167.db2.gz GNFHDEMWAAWQCC-MRXNPFEDSA-N 2 2 317.433 2.219 20 30 DEEDLP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000072858558 191239170 /nfs/dbraw/zinc/23/91/70/191239170.db2.gz GNFHDEMWAAWQCC-MRXNPFEDSA-N 2 2 317.433 2.219 20 30 DEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000072858558 191239172 /nfs/dbraw/zinc/23/91/72/191239172.db2.gz GNFHDEMWAAWQCC-MRXNPFEDSA-N 2 2 317.433 2.219 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591578408 357737681 /nfs/dbraw/zinc/73/76/81/357737681.db2.gz ZTMMXFNFCFQHGK-SFHVURJKSA-N 3 2 312.461 2.254 20 30 DEEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322334 358054818 /nfs/dbraw/zinc/05/48/18/358054818.db2.gz MDVBLVIKIVAQJV-DNVCBOLYSA-N 2 2 312.461 2.110 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000187691098 200145157 /nfs/dbraw/zinc/14/51/57/200145157.db2.gz HRFYQPJZLYBDKU-HNNXBMFYSA-N 2 2 301.434 2.398 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000187691098 200145158 /nfs/dbraw/zinc/14/51/58/200145158.db2.gz HRFYQPJZLYBDKU-HNNXBMFYSA-N 2 2 301.434 2.398 20 30 DEEDLP CCC(C#N)(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601798373 360153962 /nfs/dbraw/zinc/15/39/62/360153962.db2.gz UCTZOPNXHHYHMP-UHFFFAOYSA-N 2 2 315.421 2.102 20 30 DEEDLP C[NH+](C)CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271869171 209282392 /nfs/dbraw/zinc/28/23/92/209282392.db2.gz METXUMYXABZFDS-UHFFFAOYSA-N 3 2 314.477 2.454 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)cc1 ZINC000271860993 209274864 /nfs/dbraw/zinc/27/48/64/209274864.db2.gz KILIXMUGPYJSGX-UAPYVXQJSA-N 2 2 313.445 2.416 20 30 DEEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271923015 296131043 /nfs/dbraw/zinc/13/10/43/296131043.db2.gz FIJKPNOZBJPERP-UONOGXRCSA-N 2 2 305.397 2.316 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362867464 133256353 /nfs/dbraw/zinc/25/63/53/133256353.db2.gz YGRNEHFKCKVFLS-CQSZACIVSA-N 2 2 309.373 2.099 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362867464 133256354 /nfs/dbraw/zinc/25/63/54/133256354.db2.gz YGRNEHFKCKVFLS-CQSZACIVSA-N 2 2 309.373 2.099 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292517 148083769 /nfs/dbraw/zinc/08/37/69/148083769.db2.gz CLZKVRMLRPDYER-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292517 148083770 /nfs/dbraw/zinc/08/37/70/148083770.db2.gz CLZKVRMLRPDYER-BPQIPLTHSA-N 2 2 317.408 2.381 20 30 DEEDLP C[N@H+](CCNC(=[NH2+])Nc1ccccn1)Cc1ccc(F)cc1 ZINC000176397975 402306106 /nfs/dbraw/zinc/30/61/06/402306106.db2.gz KZPGXAARVQODJA-UHFFFAOYSA-N 2 2 301.369 2.079 20 30 DEEDLP C[N@@H+](CCNC(=[NH2+])Nc1ccccn1)Cc1ccc(F)cc1 ZINC000176397975 402306108 /nfs/dbraw/zinc/30/61/08/402306108.db2.gz KZPGXAARVQODJA-UHFFFAOYSA-N 2 2 301.369 2.079 20 30 DEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000186232431 402413144 /nfs/dbraw/zinc/41/31/44/402413144.db2.gz OKKPVDWTQSMDMN-UHFFFAOYSA-N 2 2 301.434 2.145 20 30 DEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000186232431 402413148 /nfs/dbraw/zinc/41/31/48/402413148.db2.gz OKKPVDWTQSMDMN-UHFFFAOYSA-N 2 2 301.434 2.145 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246535413 402535259 /nfs/dbraw/zinc/53/52/59/402535259.db2.gz JOMWOCZONGBPFD-FUHWJXTLSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246535413 402535264 /nfs/dbraw/zinc/53/52/64/402535264.db2.gz JOMWOCZONGBPFD-FUHWJXTLSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246535413 402535266 /nfs/dbraw/zinc/53/52/66/402535266.db2.gz JOMWOCZONGBPFD-FUHWJXTLSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246535413 402535268 /nfs/dbraw/zinc/53/52/68/402535268.db2.gz JOMWOCZONGBPFD-FUHWJXTLSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000271535435 402880517 /nfs/dbraw/zinc/88/05/17/402880517.db2.gz YCEZKKICCBNWSV-UHFFFAOYSA-N 2 2 319.474 2.043 20 30 DEEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000271535435 402880519 /nfs/dbraw/zinc/88/05/19/402880519.db2.gz YCEZKKICCBNWSV-UHFFFAOYSA-N 2 2 319.474 2.043 20 30 DEEDLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1 ZINC000287008240 403552798 /nfs/dbraw/zinc/55/27/98/403552798.db2.gz FNXSXKUZOPPFTF-KRWDZBQOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344115036 403918281 /nfs/dbraw/zinc/91/82/81/403918281.db2.gz MBYAPOCKMFWUKR-IAGOWNOFSA-N 2 2 307.482 2.265 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344115036 403918288 /nfs/dbraw/zinc/91/82/88/403918288.db2.gz MBYAPOCKMFWUKR-IAGOWNOFSA-N 2 2 307.482 2.265 20 30 DEEDLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](c2ccccc2)C1 ZINC000329062577 404216838 /nfs/dbraw/zinc/21/68/38/404216838.db2.gz ZOUIQEXQQANXOI-ZACQAIPSSA-N 2 2 324.428 2.500 20 30 DEEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000329176307 404254823 /nfs/dbraw/zinc/25/48/23/404254823.db2.gz LTGCELPZVNGLFF-LSDHHAIUSA-N 2 2 320.437 2.421 20 30 DEEDLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000329176307 404254829 /nfs/dbraw/zinc/25/48/29/404254829.db2.gz LTGCELPZVNGLFF-LSDHHAIUSA-N 2 2 320.437 2.421 20 30 DEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(C#N)cccc3C#N)C2)CC1 ZINC000365461955 404667193 /nfs/dbraw/zinc/66/71/93/404667193.db2.gz PGZVIHCYOCMVFP-INIZCTEOSA-N 2 2 309.417 2.010 20 30 DEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(C#N)cccc3C#N)C2)CC1 ZINC000365461955 404667199 /nfs/dbraw/zinc/66/71/99/404667199.db2.gz PGZVIHCYOCMVFP-INIZCTEOSA-N 2 2 309.417 2.010 20 30 DEEDLP C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000424141590 405020359 /nfs/dbraw/zinc/02/03/59/405020359.db2.gz GQDSEYKPRSQIGL-CJNGLKHVSA-N 2 2 311.389 2.071 20 30 DEEDLP C=CCC[C@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449699438 405699657 /nfs/dbraw/zinc/69/96/57/405699657.db2.gz QRNWWSGZANYJSY-CYBMUJFWSA-N 2 2 309.479 2.326 20 30 DEEDLP C=CCC[C@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449699438 405699665 /nfs/dbraw/zinc/69/96/65/405699665.db2.gz QRNWWSGZANYJSY-CYBMUJFWSA-N 2 2 309.479 2.326 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000636575125 406015059 /nfs/dbraw/zinc/01/50/59/406015059.db2.gz VHTLVBBOQNSODX-OAHLLOKOSA-N 2 2 319.453 2.250 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000534580977 406191698 /nfs/dbraw/zinc/19/16/98/406191698.db2.gz XOGYFJMMRZKFSG-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000534580977 406191700 /nfs/dbraw/zinc/19/17/00/406191700.db2.gz XOGYFJMMRZKFSG-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982454 406343853 /nfs/dbraw/zinc/34/38/53/406343853.db2.gz AWQCBZRBFCYJQE-UHFFFAOYSA-N 2 2 307.482 2.361 20 30 DEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647959692 407085876 /nfs/dbraw/zinc/08/58/76/407085876.db2.gz GPIUFIQVCGBRSV-KRWDZBQOSA-N 2 2 306.450 2.384 20 30 DEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647959692 407085880 /nfs/dbraw/zinc/08/58/80/407085880.db2.gz GPIUFIQVCGBRSV-KRWDZBQOSA-N 2 2 306.450 2.384 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647959692 407085884 /nfs/dbraw/zinc/08/58/84/407085884.db2.gz GPIUFIQVCGBRSV-KRWDZBQOSA-N 2 2 306.450 2.384 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647959692 407085886 /nfs/dbraw/zinc/08/58/86/407085886.db2.gz GPIUFIQVCGBRSV-KRWDZBQOSA-N 2 2 306.450 2.384 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000264094876 225302708 /nfs/dbraw/zinc/30/27/08/225302708.db2.gz LSPIYUWHRQMJLB-KRWDZBQOSA-N 2 2 318.465 2.387 20 30 DEEDLP Cc1cc(C)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331247969 226073334 /nfs/dbraw/zinc/07/33/34/226073334.db2.gz WIODYJGPDDIKMO-UHFFFAOYSA-N 2 2 320.437 2.444 20 30 DEEDLP C=CCCn1cc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)nn1 ZINC000657295616 425296308 /nfs/dbraw/zinc/29/63/08/425296308.db2.gz FGGFXPNDDKKUDM-UHFFFAOYSA-N 2 2 310.405 2.302 20 30 DEEDLP C=CCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654445570 425355564 /nfs/dbraw/zinc/35/55/64/425355564.db2.gz VEIMYCYFDPLDDP-MRXNPFEDSA-N 2 2 322.497 2.201 20 30 DEEDLP C=CCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654445570 425355567 /nfs/dbraw/zinc/35/55/67/425355567.db2.gz VEIMYCYFDPLDDP-MRXNPFEDSA-N 2 2 322.497 2.201 20 30 DEEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662660464 425706318 /nfs/dbraw/zinc/70/63/18/425706318.db2.gz XHTDFAFVMCAICT-IBGZPJMESA-N 2 2 313.445 2.029 20 30 DEEDLP C=CC[C@]1(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)CCC[NH2+]1 ZINC000662675631 425708976 /nfs/dbraw/zinc/70/89/76/425708976.db2.gz OCAQTPCOLXRFET-GOSISDBHSA-N 2 2 316.449 2.242 20 30 DEEDLP CC1(C)CC(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)[NH2+]1 ZINC000330172208 278189131 /nfs/dbraw/zinc/18/91/31/278189131.db2.gz GFDZDHXJCIZEIG-GFCCVEGCSA-N 2 2 319.453 2.011 20 30 DEEDLP CC1(C)CC([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)[NH2+]1 ZINC000330172208 278189133 /nfs/dbraw/zinc/18/91/33/278189133.db2.gz GFDZDHXJCIZEIG-GFCCVEGCSA-N 2 2 319.453 2.011 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658213 279236248 /nfs/dbraw/zinc/23/62/48/279236248.db2.gz UZVKZKCJQKGZKL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658213 279236249 /nfs/dbraw/zinc/23/62/49/279236249.db2.gz UZVKZKCJQKGZKL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000112658213 279236250 /nfs/dbraw/zinc/23/62/50/279236250.db2.gz UZVKZKCJQKGZKL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112658213 279236252 /nfs/dbraw/zinc/23/62/52/279236252.db2.gz UZVKZKCJQKGZKL-GDBMZVCRSA-N 2 2 314.433 2.159 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)C1=O ZINC000366898485 335323389 /nfs/dbraw/zinc/32/33/89/335323389.db2.gz WKFYQQBYEGTYFX-HOTGVXAUSA-N 2 2 314.433 2.053 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)C1=O ZINC000366898485 335323391 /nfs/dbraw/zinc/32/33/91/335323391.db2.gz WKFYQQBYEGTYFX-HOTGVXAUSA-N 2 2 314.433 2.053 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001378877087 1152476397 /nfs/dbraw/zinc/47/63/97/1152476397.db2.gz WJMRLMGZOITVDI-MGPQQGTHSA-N 2 2 310.829 2.071 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263258066 526374997 /nfs/dbraw/zinc/37/49/97/526374997.db2.gz ROEFWSATMIAKKK-LBPRGKRZSA-N 2 2 308.495 2.458 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263258066 526375000 /nfs/dbraw/zinc/37/50/00/526375000.db2.gz ROEFWSATMIAKKK-LBPRGKRZSA-N 2 2 308.495 2.458 20 30 DEEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000342023050 526695068 /nfs/dbraw/zinc/69/50/68/526695068.db2.gz ASSFQFMEUBXQAU-CVEARBPZSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000342023050 526695072 /nfs/dbraw/zinc/69/50/72/526695072.db2.gz ASSFQFMEUBXQAU-CVEARBPZSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCOCC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000339103315 526768205 /nfs/dbraw/zinc/76/82/05/526768205.db2.gz PGLBKHSYPWDUGM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000339103315 526768211 /nfs/dbraw/zinc/76/82/11/526768211.db2.gz PGLBKHSYPWDUGM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000339103315 526768216 /nfs/dbraw/zinc/76/82/16/526768216.db2.gz PGLBKHSYPWDUGM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000339103315 526768220 /nfs/dbraw/zinc/76/82/20/526768220.db2.gz PGLBKHSYPWDUGM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP 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790455860 /nfs/dbraw/zinc/45/58/60/790455860.db2.gz ROZSWHSWYUCUIH-UHFFFAOYSA-N 2 2 322.412 2.206 20 30 DEEDLP C=CC[N@H+]1CCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001073101573 790455864 /nfs/dbraw/zinc/45/58/64/790455864.db2.gz ROZSWHSWYUCUIH-UHFFFAOYSA-N 2 2 322.412 2.206 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167334875 776916193 /nfs/dbraw/zinc/91/61/93/776916193.db2.gz ZIIZYKDXDKJMKI-CQSZACIVSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348776 776937519 /nfs/dbraw/zinc/93/75/19/776937519.db2.gz UPFSRJCPEFIQJL-AWEZNQCLSA-N 2 2 324.856 2.463 20 30 DEEDLP C=CCN(CC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204392 777139574 /nfs/dbraw/zinc/13/95/74/777139574.db2.gz LQKBRKZNRXZSLV-HOTGVXAUSA-N 2 2 323.481 2.293 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716691 777875625 /nfs/dbraw/zinc/87/56/25/777875625.db2.gz MIHVOCJZJIKLMS-QQFBHYJXSA-N 2 2 304.438 2.285 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124537 779713862 /nfs/dbraw/zinc/71/38/62/779713862.db2.gz QDQYXAPULUKSEW-BBWFWOEESA-N 2 2 316.449 2.191 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124537 779713871 /nfs/dbraw/zinc/71/38/71/779713871.db2.gz QDQYXAPULUKSEW-BBWFWOEESA-N 2 2 316.449 2.191 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088171259 779754891 /nfs/dbraw/zinc/75/48/91/779754891.db2.gz GOOGADRYHJYAJE-CABCVRRESA-N 2 2 316.449 2.044 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088171259 779754897 /nfs/dbraw/zinc/75/48/97/779754897.db2.gz GOOGADRYHJYAJE-CABCVRRESA-N 2 2 316.449 2.044 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001088352048 780011197 /nfs/dbraw/zinc/01/11/97/780011197.db2.gz RODCTXSGVYLFOF-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497977 784427041 /nfs/dbraw/zinc/42/70/41/784427041.db2.gz UNFVRQRDLFPLNK-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497977 784427050 /nfs/dbraw/zinc/42/70/50/784427050.db2.gz UNFVRQRDLFPLNK-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001091309417 791093001 /nfs/dbraw/zinc/09/30/01/791093001.db2.gz IBWAHVXICXJKGP-UHFFFAOYSA-N 2 2 310.401 2.156 20 30 DEEDLP CCCCCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172878 786430644 /nfs/dbraw/zinc/43/06/44/786430644.db2.gz WOMHPGJXDLZEQU-UHFFFAOYSA-N 2 2 306.454 2.388 20 30 DEEDLP CC#CC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113529068 786663549 /nfs/dbraw/zinc/66/35/49/786663549.db2.gz BZHXKLYACBXDTM-UHFFFAOYSA-N 2 2 307.482 2.056 20 30 DEEDLP CCCCCCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113538576 786668540 /nfs/dbraw/zinc/66/85/40/786668540.db2.gz VQTLOXIYIZEKIK-UHFFFAOYSA-N 2 2 306.454 2.077 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726271 786726912 /nfs/dbraw/zinc/72/69/12/786726912.db2.gz FGWBNCHEIFVJGM-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014726271 786726914 /nfs/dbraw/zinc/72/69/14/786726914.db2.gz FGWBNCHEIFVJGM-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014726271 786726920 /nfs/dbraw/zinc/72/69/20/786726920.db2.gz FGWBNCHEIFVJGM-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014726271 786726924 /nfs/dbraw/zinc/72/69/24/786726924.db2.gz FGWBNCHEIFVJGM-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014901495 786799252 /nfs/dbraw/zinc/79/92/52/786799252.db2.gz LJVPAEFAHSQYKK-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001014901495 786799260 /nfs/dbraw/zinc/79/92/60/786799260.db2.gz LJVPAEFAHSQYKK-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024634 787884893 /nfs/dbraw/zinc/88/48/93/787884893.db2.gz HKGZYMHALFGJCQ-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024634 787884905 /nfs/dbraw/zinc/88/49/05/787884905.db2.gz HKGZYMHALFGJCQ-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195101 787957838 /nfs/dbraw/zinc/95/78/38/787957838.db2.gz JXOWYRVMMZNPAU-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195101 787957843 /nfs/dbraw/zinc/95/78/43/787957843.db2.gz JXOWYRVMMZNPAU-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521255 788116643 /nfs/dbraw/zinc/11/66/43/788116643.db2.gz AKNXIQAQYZRDPN-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132521255 788116647 /nfs/dbraw/zinc/11/66/47/788116647.db2.gz AKNXIQAQYZRDPN-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521255 788116649 /nfs/dbraw/zinc/11/66/49/788116649.db2.gz AKNXIQAQYZRDPN-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521255 788116654 /nfs/dbraw/zinc/11/66/54/788116654.db2.gz AKNXIQAQYZRDPN-KGLIPLIRSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782790 788191054 /nfs/dbraw/zinc/19/10/54/788191054.db2.gz RZPYXJLVGBRYDA-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001132992187 788250764 /nfs/dbraw/zinc/25/07/64/788250764.db2.gz DMTHZKDRDGHBBL-DYVFJYSZSA-N 2 2 313.445 2.328 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133271585 788344885 /nfs/dbraw/zinc/34/48/85/788344885.db2.gz QJJDQVCAGKXPAZ-GDBMZVCRSA-N 2 2 318.465 2.301 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133282731 788351692 /nfs/dbraw/zinc/35/16/92/788351692.db2.gz KFGVNAPPKYAPDL-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732078 789063359 /nfs/dbraw/zinc/06/33/59/789063359.db2.gz CPQGQJQKCUHVSL-HUUCEWRRSA-N 2 2 319.449 2.472 20 30 DEEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135839960 789520691 /nfs/dbraw/zinc/52/06/91/789520691.db2.gz AFFNKQXUHRHWPH-CVEARBPZSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071605644 789808339 /nfs/dbraw/zinc/80/83/39/789808339.db2.gz CDELSYJPNYTICM-HOTGVXAUSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071605644 789808346 /nfs/dbraw/zinc/80/83/46/789808346.db2.gz CDELSYJPNYTICM-HOTGVXAUSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857565 792153494 /nfs/dbraw/zinc/15/34/94/792153494.db2.gz GVUDAKJNIFPKKB-NVXWUHKLSA-N 2 2 324.428 2.356 20 30 DEEDLP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857565 792153498 /nfs/dbraw/zinc/15/34/98/792153498.db2.gz GVUDAKJNIFPKKB-NVXWUHKLSA-N 2 2 324.428 2.356 20 30 DEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784871 793212884 /nfs/dbraw/zinc/21/28/84/793212884.db2.gz VEQWKBPPKHGPPH-HNNXBMFYSA-N 2 2 312.417 2.236 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094908715 793414404 /nfs/dbraw/zinc/41/44/04/793414404.db2.gz CVUCTIIQUFYMTM-IHRRRGAJSA-N 2 2 322.840 2.064 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001115601696 794836501 /nfs/dbraw/zinc/83/65/01/794836501.db2.gz NKVHTWOOLGFPMR-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121953980 795709452 /nfs/dbraw/zinc/70/94/52/795709452.db2.gz LYZFBNZMOSJMES-RWQKBRBCSA-N 2 2 316.449 2.324 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184274376 796023698 /nfs/dbraw/zinc/02/36/98/796023698.db2.gz OBSOWLVBZITUQV-JSGCOSHPSA-N 2 2 324.856 2.169 20 30 DEEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](C#N)CC3)s2)CC1 ZINC001139324038 796358545 /nfs/dbraw/zinc/35/85/45/796358545.db2.gz XKCXATULGNRFBN-AWEZNQCLSA-N 2 2 319.478 2.021 20 30 DEEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](C#N)CC3)s2)CC1 ZINC001139324038 796358552 /nfs/dbraw/zinc/35/85/52/796358552.db2.gz XKCXATULGNRFBN-AWEZNQCLSA-N 2 2 319.478 2.021 20 30 DEEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)c(C#N)c1 ZINC001139724630 796416766 /nfs/dbraw/zinc/41/67/66/796416766.db2.gz YAIPCTPPSPYRAD-UHFFFAOYSA-N 2 2 317.433 2.184 20 30 DEEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(C#N)c1 ZINC001139724630 796416769 /nfs/dbraw/zinc/41/67/69/796416769.db2.gz YAIPCTPPSPYRAD-UHFFFAOYSA-N 2 2 317.433 2.184 20 30 DEEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078007 796596426 /nfs/dbraw/zinc/59/64/26/796596426.db2.gz KGONYZOHNGQHHS-IRXDYDNUSA-N 2 2 322.412 2.217 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286572 796655161 /nfs/dbraw/zinc/65/51/61/796655161.db2.gz WJWKDKBAPHJZBH-GVDBMIGSSA-N 2 2 316.449 2.189 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286572 796655164 /nfs/dbraw/zinc/65/51/64/796655164.db2.gz WJWKDKBAPHJZBH-GVDBMIGSSA-N 2 2 316.449 2.189 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875009 796895915 /nfs/dbraw/zinc/89/59/15/796895915.db2.gz RVJZJHGEHNYSDQ-HUUCEWRRSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875009 796895922 /nfs/dbraw/zinc/89/59/22/796895922.db2.gz RVJZJHGEHNYSDQ-HUUCEWRRSA-N 2 2 304.438 2.230 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879356 797100969 /nfs/dbraw/zinc/10/09/69/797100969.db2.gz RGWHZFQHXFUQHA-INIZCTEOSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879356 797100971 /nfs/dbraw/zinc/10/09/71/797100971.db2.gz RGWHZFQHXFUQHA-INIZCTEOSA-N 2 2 317.433 2.132 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191018902 797125554 /nfs/dbraw/zinc/12/55/54/797125554.db2.gz GJEPOPOXKYNTIB-ZDUSSCGKSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191018902 797125559 /nfs/dbraw/zinc/12/55/59/797125559.db2.gz GJEPOPOXKYNTIB-ZDUSSCGKSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018902 797125563 /nfs/dbraw/zinc/12/55/63/797125563.db2.gz GJEPOPOXKYNTIB-ZDUSSCGKSA-N 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C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034047 797447990 /nfs/dbraw/zinc/44/79/90/797447990.db2.gz UMKNPXMMBVCXPH-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034047 797447995 /nfs/dbraw/zinc/44/79/95/797447995.db2.gz UMKNPXMMBVCXPH-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092557 797461047 /nfs/dbraw/zinc/46/10/47/797461047.db2.gz IUIXUNWXTXLKCA-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092557 797461048 /nfs/dbraw/zinc/46/10/48/797461048.db2.gz IUIXUNWXTXLKCA-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492880 797544463 /nfs/dbraw/zinc/54/44/63/797544463.db2.gz SRRJJWZEFZJRRU-MRXNPFEDSA-N 2 2 324.428 2.336 20 30 DEEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492880 797544466 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MEQUIUCOTHXOOZ-ULQDDVLXSA-N 2 2 316.449 2.332 20 30 DEEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269251147 1081183958 /nfs/dbraw/zinc/18/39/58/1081183958.db2.gz LXBYBEXBFYEALG-HOTGVXAUSA-N 2 2 304.438 2.189 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269251147 1081183960 /nfs/dbraw/zinc/18/39/60/1081183960.db2.gz LXBYBEXBFYEALG-HOTGVXAUSA-N 2 2 304.438 2.189 20 30 DEEDLP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001667473235 1081255965 /nfs/dbraw/zinc/25/59/65/1081255965.db2.gz KHEPXGUWMIIDPT-HOTGVXAUSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001667721728 1081279118 /nfs/dbraw/zinc/27/91/18/1081279118.db2.gz LPTJCUNPPCEFKR-CVEARBPZSA-N 2 2 312.417 2.317 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001669972910 1081485219 /nfs/dbraw/zinc/48/52/19/1081485219.db2.gz BHHMGVXGZQSBJK-HUUCEWRRSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444529 1081714186 /nfs/dbraw/zinc/71/41/86/1081714186.db2.gz VJKOHFUMHYCNML-NVXWUHKLSA-N 2 2 305.466 2.112 20 30 DEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444529 1081714190 /nfs/dbraw/zinc/71/41/90/1081714190.db2.gz VJKOHFUMHYCNML-NVXWUHKLSA-N 2 2 305.466 2.112 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001674141410 1081842776 /nfs/dbraw/zinc/84/27/76/1081842776.db2.gz KRRRLNIHKPGJMI-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001674141410 1081842783 /nfs/dbraw/zinc/84/27/83/1081842783.db2.gz KRRRLNIHKPGJMI-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266355094 1081994314 /nfs/dbraw/zinc/99/43/14/1081994314.db2.gz AKPCODMGVPXWIC-OAHLLOKOSA-N 2 2 306.454 2.422 20 30 DEEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266355094 1081994322 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312.417 2.352 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001366035841 1147020922 /nfs/dbraw/zinc/02/09/22/1147020922.db2.gz ULNZFSSEIDXHMM-AWEZNQCLSA-N 2 2 324.856 2.164 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001316811582 1147604720 /nfs/dbraw/zinc/60/47/20/1147604720.db2.gz RXZRQUOSGUSOFA-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001316811582 1147604726 /nfs/dbraw/zinc/60/47/26/1147604726.db2.gz RXZRQUOSGUSOFA-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317000856 1147646988 /nfs/dbraw/zinc/64/69/88/1147646988.db2.gz IDAALSWZUNYQIF-CVEARBPZSA-N 2 2 316.449 2.381 20 30 DEEDLP C=CCCC[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001325752968 1147995518 /nfs/dbraw/zinc/99/55/18/1147995518.db2.gz GIBIAGPTZSKXJH-IYBDPMFKSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001325752968 1147995524 /nfs/dbraw/zinc/99/55/24/1147995524.db2.gz GIBIAGPTZSKXJH-IYBDPMFKSA-N 2 2 324.428 2.304 20 30 DEEDLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1(C#N)CCCCC1 ZINC000372989412 282186819 /nfs/dbraw/zinc/18/68/19/282186819.db2.gz JQCHDMGPWPPASY-MRXNPFEDSA-N 2 2 320.481 2.087 20 30 DEEDLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1(C#N)CCCCC1 ZINC000372989412 282186822 /nfs/dbraw/zinc/18/68/22/282186822.db2.gz JQCHDMGPWPPASY-MRXNPFEDSA-N 2 2 320.481 2.087 20 30 DEEDLP Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)c(C#N)c[nH+]1 ZINC000581306392 357164714 /nfs/dbraw/zinc/16/47/14/357164714.db2.gz KUHOUUJWQXUGNZ-UHFFFAOYSA-N 2 2 307.401 2.155 20 30 DEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCCC#N)CC2)CC1 ZINC000588331736 357407414 /nfs/dbraw/zinc/40/74/14/357407414.db2.gz SGIQOCAXTIJLTO-UHFFFAOYSA-N 2 2 320.481 2.135 20 30 DEEDLP Cc1[nH]c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000600109307 359650731 /nfs/dbraw/zinc/65/07/31/359650731.db2.gz YURXDPSPGUJDTA-UHFFFAOYSA-N 2 2 309.417 2.216 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512229 360410843 /nfs/dbraw/zinc/41/08/43/360410843.db2.gz YAQNHAMWRFGJCC-IAGOWNOFSA-N 2 2 323.481 2.032 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512229 360410846 /nfs/dbraw/zinc/41/08/46/360410846.db2.gz YAQNHAMWRFGJCC-IAGOWNOFSA-N 2 2 323.481 2.032 20 30 DEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000609385782 361308092 /nfs/dbraw/zinc/30/80/92/361308092.db2.gz DUPCXRLGVSNCJA-QGZVFWFLSA-N 2 2 314.433 2.349 20 30 DEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000609385782 361308095 /nfs/dbraw/zinc/30/80/95/361308095.db2.gz DUPCXRLGVSNCJA-QGZVFWFLSA-N 2 2 314.433 2.349 20 30 DEEDLP C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000623758199 365163022 /nfs/dbraw/zinc/16/30/22/365163022.db2.gz SGQGBUJVHLGAEC-CQSZACIVSA-N 2 2 310.825 2.061 20 30 DEEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270097699 208155543 /nfs/dbraw/zinc/15/55/43/208155543.db2.gz BGLLNUIJENFPJL-HNNXBMFYSA-N 2 2 312.417 2.111 20 30 DEEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270097699 208155553 /nfs/dbraw/zinc/15/55/53/208155553.db2.gz BGLLNUIJENFPJL-HNNXBMFYSA-N 2 2 312.417 2.111 20 30 DEEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000120792861 195238129 /nfs/dbraw/zinc/23/81/29/195238129.db2.gz DAGISHFRIUSNEW-INIZCTEOSA-N 2 2 317.408 2.242 20 30 DEEDLP N#Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000120792861 195238132 /nfs/dbraw/zinc/23/81/32/195238132.db2.gz DAGISHFRIUSNEW-INIZCTEOSA-N 2 2 317.408 2.242 20 30 DEEDLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692922 221158680 /nfs/dbraw/zinc/15/86/80/221158680.db2.gz DXZNZMFOIOLVCX-KDOFPFPSSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692922 221158682 /nfs/dbraw/zinc/15/86/82/221158682.db2.gz DXZNZMFOIOLVCX-KDOFPFPSSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692922 221158684 /nfs/dbraw/zinc/15/86/84/221158684.db2.gz DXZNZMFOIOLVCX-KDOFPFPSSA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289692922 221158687 /nfs/dbraw/zinc/15/86/87/221158687.db2.gz DXZNZMFOIOLVCX-KDOFPFPSSA-N 2 2 301.434 2.396 20 30 DEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860226 401771840 /nfs/dbraw/zinc/77/18/40/401771840.db2.gz NJQQKENAIPRZRK-MRXNPFEDSA-N 2 2 320.481 2.135 20 30 DEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860226 401771843 /nfs/dbraw/zinc/77/18/43/401771843.db2.gz NJQQKENAIPRZRK-MRXNPFEDSA-N 2 2 320.481 2.135 20 30 DEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860226 401771846 /nfs/dbraw/zinc/77/18/46/401771846.db2.gz NJQQKENAIPRZRK-MRXNPFEDSA-N 2 2 320.481 2.135 20 30 DEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1(C#N)CCCCC1 ZINC000075860226 401771850 /nfs/dbraw/zinc/77/18/50/401771850.db2.gz NJQQKENAIPRZRK-MRXNPFEDSA-N 2 2 320.481 2.135 20 30 DEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000125082636 402211888 /nfs/dbraw/zinc/21/18/88/402211888.db2.gz IFOGTDYLBIRCSX-INIZCTEOSA-N 2 2 316.424 2.304 20 30 DEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000125082636 402211889 /nfs/dbraw/zinc/21/18/89/402211889.db2.gz IFOGTDYLBIRCSX-INIZCTEOSA-N 2 2 316.424 2.304 20 30 DEEDLP C=CCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000156974421 402290084 /nfs/dbraw/zinc/29/00/84/402290084.db2.gz GUONOCKRNFBMLQ-UHFFFAOYSA-N 2 2 317.433 2.246 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)c1 ZINC000170906478 402540468 /nfs/dbraw/zinc/54/04/68/402540468.db2.gz DDKUNSJNMDSVEN-HNNXBMFYSA-N 2 2 313.405 2.120 20 30 DEEDLP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCc2sccc2C1 ZINC000170906299 402540714 /nfs/dbraw/zinc/54/07/14/402540714.db2.gz HZPPFGZWOYNAEW-GFCCVEGCSA-N 2 2 315.446 2.317 20 30 DEEDLP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCc2sccc2C1 ZINC000170906299 402540716 /nfs/dbraw/zinc/54/07/16/402540716.db2.gz HZPPFGZWOYNAEW-GFCCVEGCSA-N 2 2 315.446 2.317 20 30 DEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000183887412 402803572 /nfs/dbraw/zinc/80/35/72/402803572.db2.gz UJEIYOUAMIYRKO-ZDUSSCGKSA-N 2 2 314.355 2.375 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000269467152 403141572 /nfs/dbraw/zinc/14/15/72/403141572.db2.gz ZHLHFWYKJSHZRT-OAHLLOKOSA-N 2 2 317.408 2.288 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000270843111 403230605 /nfs/dbraw/zinc/23/06/05/403230605.db2.gz GGCQDVXZCVTFGK-SFHVURJKSA-N 2 2 309.417 2.074 20 30 DEEDLP C=CC[NH+]1CCC(Nc2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000271225495 403281972 /nfs/dbraw/zinc/28/19/72/403281972.db2.gz WWKUFILAFGMEGB-UHFFFAOYSA-N 2 2 304.442 2.123 20 30 DEEDLP C[N@H+](CCC(C)(C)C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347209311 403623511 /nfs/dbraw/zinc/62/35/11/403623511.db2.gz TUHPAOMILWPKLD-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[N@@H+](CCC(C)(C)C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347209311 403623514 /nfs/dbraw/zinc/62/35/14/403623514.db2.gz TUHPAOMILWPKLD-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](CCC(C)(C)C#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000347209311 403623519 /nfs/dbraw/zinc/62/35/19/403623519.db2.gz TUHPAOMILWPKLD-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](CCC(C)(C)C#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000347209311 403623522 /nfs/dbraw/zinc/62/35/22/403623522.db2.gz TUHPAOMILWPKLD-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1F ZINC000340920493 403697940 /nfs/dbraw/zinc/69/79/40/403697940.db2.gz RTHSQXDIHTZSIE-ZACQAIPSSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1F ZINC000340920493 403697943 /nfs/dbraw/zinc/69/79/43/403697943.db2.gz RTHSQXDIHTZSIE-ZACQAIPSSA-N 2 2 317.408 2.381 20 30 DEEDLP CCCCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303791592 403756483 /nfs/dbraw/zinc/75/64/83/403756483.db2.gz XTBKNBFUDYSCRI-UHFFFAOYSA-N 2 2 300.410 2.252 20 30 DEEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328925678 404174961 /nfs/dbraw/zinc/17/49/61/404174961.db2.gz OKNTWJWQGWEMNJ-ZDUSSCGKSA-N 2 2 313.405 2.178 20 30 DEEDLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](c2ccccc2)C1 ZINC000329003110 404196778 /nfs/dbraw/zinc/19/67/78/404196778.db2.gz HKEOCXVTETVYAD-NJAFHUGGSA-N 2 2 324.428 2.500 20 30 DEEDLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](c2ccccc2)C1 ZINC000329003110 404196787 /nfs/dbraw/zinc/19/67/87/404196787.db2.gz HKEOCXVTETVYAD-NJAFHUGGSA-N 2 2 324.428 2.500 20 30 DEEDLP C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000424141593 405019407 /nfs/dbraw/zinc/01/94/07/405019407.db2.gz GQDSEYKPRSQIGL-CZUORRHYSA-N 2 2 311.389 2.071 20 30 DEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647959693 407085548 /nfs/dbraw/zinc/08/55/48/407085548.db2.gz GPIUFIQVCGBRSV-QGZVFWFLSA-N 2 2 306.450 2.384 20 30 DEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647959693 407085550 /nfs/dbraw/zinc/08/55/50/407085550.db2.gz GPIUFIQVCGBRSV-QGZVFWFLSA-N 2 2 306.450 2.384 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000647959693 407085553 /nfs/dbraw/zinc/08/55/53/407085553.db2.gz GPIUFIQVCGBRSV-QGZVFWFLSA-N 2 2 306.450 2.384 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647959693 407085554 /nfs/dbraw/zinc/08/55/54/407085554.db2.gz GPIUFIQVCGBRSV-QGZVFWFLSA-N 2 2 306.450 2.384 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000248737964 225240151 /nfs/dbraw/zinc/24/01/51/225240151.db2.gz DUTFCZNDIJHUSI-MNEFBYGVSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000248737964 225240154 /nfs/dbraw/zinc/24/01/54/225240154.db2.gz DUTFCZNDIJHUSI-MNEFBYGVSA-N 2 2 313.445 2.078 20 30 DEEDLP Cn1c[nH+]cc1CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000267726865 225367509 /nfs/dbraw/zinc/36/75/09/225367509.db2.gz CFSKICKNEHWGEQ-UHFFFAOYSA-N 2 2 313.405 2.248 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834851324 649854471 /nfs/dbraw/zinc/85/44/71/649854471.db2.gz WTUDACIWWOKRLX-WMZOPIPTSA-N 2 2 316.445 2.196 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000834851324 649854472 /nfs/dbraw/zinc/85/44/72/649854472.db2.gz WTUDACIWWOKRLX-WMZOPIPTSA-N 2 2 316.445 2.196 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNc1nc[nH+]c(N)c1Cl)C(C)C ZINC000359563698 424830432 /nfs/dbraw/zinc/83/04/32/424830432.db2.gz SVPMNZPARDCZOU-LBPRGKRZSA-N 2 2 309.845 2.823 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000663668358 425210602 /nfs/dbraw/zinc/21/06/02/425210602.db2.gz NUXULOMOOKTVFB-INIZCTEOSA-N 2 2 319.453 2.250 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000663668358 425210605 /nfs/dbraw/zinc/21/06/05/425210605.db2.gz NUXULOMOOKTVFB-INIZCTEOSA-N 2 2 319.453 2.250 20 30 DEEDLP Cc1cc(Br)cn2cc(CC[NH2+]CCC#N)[nH+]c12 ZINC000563882237 335114054 /nfs/dbraw/zinc/11/40/54/335114054.db2.gz UTMRPSADBHFEMZ-UHFFFAOYSA-N 2 2 307.195 2.451 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001329940848 1149021065 /nfs/dbraw/zinc/02/10/65/1149021065.db2.gz ZUNRUNOMQLTIPQ-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001329940848 1149021070 /nfs/dbraw/zinc/02/10/70/1149021070.db2.gz ZUNRUNOMQLTIPQ-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP CN(C)C(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890798 500764350 /nfs/dbraw/zinc/76/43/50/500764350.db2.gz ZVUYDCANCMVOGI-GFCCVEGCSA-N 2 2 302.344 2.184 20 30 DEEDLP C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411135503 526358876 /nfs/dbraw/zinc/35/88/76/526358876.db2.gz QVLRPFNBSMJXJR-KRWDZBQOSA-N 2 2 315.461 2.227 20 30 DEEDLP C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411135503 526358883 /nfs/dbraw/zinc/35/88/83/526358883.db2.gz QVLRPFNBSMJXJR-KRWDZBQOSA-N 2 2 315.461 2.227 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@@H]1C ZINC000262696551 526375169 /nfs/dbraw/zinc/37/51/69/526375169.db2.gz DXLGIEGJRCHLIN-OBJOEFQTSA-N 2 2 306.479 2.068 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@H]1C[C@@H]1C ZINC000262696551 526375178 /nfs/dbraw/zinc/37/51/78/526375178.db2.gz DXLGIEGJRCHLIN-OBJOEFQTSA-N 2 2 306.479 2.068 20 30 DEEDLP C[NH+]=C(NCc1ccco1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262009093 526384752 /nfs/dbraw/zinc/38/47/52/526384752.db2.gz WEQOWDJWISFNTE-DZGCQCFKSA-N 2 2 301.394 2.135 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000294869023 526828945 /nfs/dbraw/zinc/82/89/45/526828945.db2.gz CONRVJMEGXCPIX-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000294869023 526828949 /nfs/dbraw/zinc/82/89/49/526828949.db2.gz CONRVJMEGXCPIX-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000294869023 526828951 /nfs/dbraw/zinc/82/89/51/526828951.db2.gz CONRVJMEGXCPIX-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000294869023 526828956 /nfs/dbraw/zinc/82/89/56/526828956.db2.gz CONRVJMEGXCPIX-ICSRJNTNSA-N 3 2 313.489 2.442 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000194542181 526875746 /nfs/dbraw/zinc/87/57/46/526875746.db2.gz MMMWDZHWCILFNR-IYBDPMFKSA-N 2 2 302.418 2.253 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000194542181 526875748 /nfs/dbraw/zinc/87/57/48/526875748.db2.gz MMMWDZHWCILFNR-IYBDPMFKSA-N 2 2 302.418 2.253 20 30 DEEDLP C=CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000194542181 526875752 /nfs/dbraw/zinc/87/57/52/526875752.db2.gz MMMWDZHWCILFNR-IYBDPMFKSA-N 2 2 302.418 2.253 20 30 DEEDLP C=CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000194542181 526875753 /nfs/dbraw/zinc/87/57/53/526875753.db2.gz MMMWDZHWCILFNR-IYBDPMFKSA-N 2 2 302.418 2.253 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001327958683 1148686723 /nfs/dbraw/zinc/68/67/23/1148686723.db2.gz NISLWFDPHVYKKR-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001327958682 1148686301 /nfs/dbraw/zinc/68/63/01/1148686301.db2.gz NISLWFDPHVYKKR-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001026598487 625554481 /nfs/dbraw/zinc/55/44/81/625554481.db2.gz JKFXJACLXCPMKU-UHFFFAOYSA-N 2 2 310.829 2.030 20 30 DEEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000970223221 623345641 /nfs/dbraw/zinc/34/56/41/623345641.db2.gz KRMLWVZOXSXGMM-AWEZNQCLSA-N 2 2 310.401 2.108 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645756 623894219 /nfs/dbraw/zinc/89/42/19/623894219.db2.gz MNKCULDOYYGCKS-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645756 623894225 /nfs/dbraw/zinc/89/42/25/623894225.db2.gz MNKCULDOYYGCKS-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947437114 624046826 /nfs/dbraw/zinc/04/68/26/624046826.db2.gz OTISSVTYBVIIPA-ZBFHGGJFSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947437114 624046830 /nfs/dbraw/zinc/04/68/30/624046830.db2.gz OTISSVTYBVIIPA-ZBFHGGJFSA-N 2 2 317.433 2.178 20 30 DEEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000972027179 624782785 /nfs/dbraw/zinc/78/27/85/624782785.db2.gz PUPKWSPTKVEASV-QGZVFWFLSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000972027179 624782786 /nfs/dbraw/zinc/78/27/86/624782786.db2.gz PUPKWSPTKVEASV-QGZVFWFLSA-N 2 2 310.401 2.205 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000921739031 634817955 /nfs/dbraw/zinc/81/79/55/634817955.db2.gz VYNZTDZAGYXSHJ-OAHLLOKOSA-N 2 2 305.447 2.353 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883268 634857408 /nfs/dbraw/zinc/85/74/08/634857408.db2.gz HZMARDCAORSJGD-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981168515 635339417 /nfs/dbraw/zinc/33/94/17/635339417.db2.gz VNZRGQYAFPJLNS-HOTGVXAUSA-N 2 2 317.433 2.226 20 30 DEEDLP C#CCC[NH+]1CCC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001001529035 635523035 /nfs/dbraw/zinc/52/30/35/635523035.db2.gz RGTCVBCNAKWLFU-UHFFFAOYSA-N 2 2 310.401 2.028 20 30 DEEDLP C#CC[NH+]1CCC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001006232970 637289525 /nfs/dbraw/zinc/28/95/25/637289525.db2.gz RDOKBBWUEZCGEQ-UHFFFAOYSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990711565 641627954 /nfs/dbraw/zinc/62/79/54/641627954.db2.gz MLZWOKVFJIMNAA-QFBILLFUSA-N 2 2 322.412 2.003 20 30 DEEDLP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990711565 641627957 /nfs/dbraw/zinc/62/79/57/641627957.db2.gz MLZWOKVFJIMNAA-QFBILLFUSA-N 2 2 322.412 2.003 20 30 DEEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991380904 646040541 /nfs/dbraw/zinc/04/05/41/646040541.db2.gz AOICXLKDKUAWSZ-PKOBYXMFSA-N 2 2 322.412 2.313 20 30 DEEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991380904 646040545 /nfs/dbraw/zinc/04/05/45/646040545.db2.gz AOICXLKDKUAWSZ-PKOBYXMFSA-N 2 2 322.412 2.313 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314531 646515509 /nfs/dbraw/zinc/51/55/09/646515509.db2.gz GUJLAWMXLVEYSU-WMLDXEAASA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314531 646515510 /nfs/dbraw/zinc/51/55/10/646515510.db2.gz GUJLAWMXLVEYSU-WMLDXEAASA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992446230 647012398 /nfs/dbraw/zinc/01/23/98/647012398.db2.gz MEMJMEIDCXPUID-AEFFLSMTSA-N 2 2 316.449 2.340 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992446230 647012402 /nfs/dbraw/zinc/01/24/02/647012402.db2.gz MEMJMEIDCXPUID-AEFFLSMTSA-N 2 2 316.449 2.340 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000992721860 647197184 /nfs/dbraw/zinc/19/71/84/647197184.db2.gz QCJFRHLGZQZCQX-DJIMGWMZSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000992721860 647197186 /nfs/dbraw/zinc/19/71/86/647197186.db2.gz QCJFRHLGZQZCQX-DJIMGWMZSA-N 2 2 316.449 2.135 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993634611 647712526 /nfs/dbraw/zinc/71/25/26/647712526.db2.gz MIJOFKKQAVMCLJ-CRAIPNDOSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993634611 647712529 /nfs/dbraw/zinc/71/25/29/647712529.db2.gz MIJOFKKQAVMCLJ-CRAIPNDOSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000820847265 647931027 /nfs/dbraw/zinc/93/10/27/647931027.db2.gz XHIPWYIOHPRKIB-UHFFFAOYSA-N 2 2 304.825 2.271 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000820847265 647931029 /nfs/dbraw/zinc/93/10/29/647931029.db2.gz XHIPWYIOHPRKIB-UHFFFAOYSA-N 2 2 304.825 2.271 20 30 DEEDLP CC[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC(C)C ZINC000072605542 649462004 /nfs/dbraw/zinc/46/20/04/649462004.db2.gz XDXIJQQZABVQEF-CYBMUJFWSA-N 2 2 308.495 2.458 20 30 DEEDLP CC[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC(C)C ZINC000072605542 649462005 /nfs/dbraw/zinc/46/20/05/649462005.db2.gz XDXIJQQZABVQEF-CYBMUJFWSA-N 2 2 308.495 2.458 20 30 DEEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](C)C1 ZINC000072876434 649533689 /nfs/dbraw/zinc/53/36/89/649533689.db2.gz FVWBBRUSTJPGKN-OAHLLOKOSA-N 2 2 317.481 2.459 20 30 DEEDLP CC(C)N(C)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)cn1 ZINC000848417386 651457453 /nfs/dbraw/zinc/45/74/53/651457453.db2.gz XJXAWXYDZVLBEY-UHFFFAOYSA-N 2 2 300.410 2.137 20 30 DEEDLP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866338269 687539394 /nfs/dbraw/zinc/53/93/94/687539394.db2.gz PSWBHBIVTAJILK-CQSZACIVSA-N 2 2 305.422 2.273 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565675 687913771 /nfs/dbraw/zinc/91/37/71/687913771.db2.gz QOMPBNPYNXRQTH-HRCADAONSA-N 2 2 316.449 2.258 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565675 687913776 /nfs/dbraw/zinc/91/37/76/687913776.db2.gz QOMPBNPYNXRQTH-HRCADAONSA-N 2 2 316.449 2.258 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032431105 689149541 /nfs/dbraw/zinc/14/95/41/689149541.db2.gz RVQPNQFAYFUTNS-GJZGRUSLSA-N 2 2 319.474 2.285 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032431105 689149542 /nfs/dbraw/zinc/14/95/42/689149542.db2.gz RVQPNQFAYFUTNS-GJZGRUSLSA-N 2 2 319.474 2.285 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001032656921 689214933 /nfs/dbraw/zinc/21/49/33/689214933.db2.gz QOHAHHNOUBNXET-PMPSAXMXSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001032656921 689214937 /nfs/dbraw/zinc/21/49/37/689214937.db2.gz QOHAHHNOUBNXET-PMPSAXMXSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071587 689376076 /nfs/dbraw/zinc/37/60/76/689376076.db2.gz FSZVKIIPAFNZHM-GJZGRUSLSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071587 689376078 /nfs/dbraw/zinc/37/60/78/689376078.db2.gz FSZVKIIPAFNZHM-GJZGRUSLSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071587 689376083 /nfs/dbraw/zinc/37/60/83/689376083.db2.gz FSZVKIIPAFNZHM-GJZGRUSLSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071587 689376088 /nfs/dbraw/zinc/37/60/88/689376088.db2.gz FSZVKIIPAFNZHM-GJZGRUSLSA-N 2 2 313.873 2.144 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033832766 689631369 /nfs/dbraw/zinc/63/13/69/689631369.db2.gz LDTVHZZTBHQLJI-QGZVFWFLSA-N 2 2 324.428 2.202 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033832766 689631371 /nfs/dbraw/zinc/63/13/71/689631371.db2.gz LDTVHZZTBHQLJI-QGZVFWFLSA-N 2 2 324.428 2.202 20 30 DEEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229453 689773028 /nfs/dbraw/zinc/77/30/28/689773028.db2.gz QVFCGTIOYLBMHT-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229453 689773031 /nfs/dbraw/zinc/77/30/31/689773031.db2.gz QVFCGTIOYLBMHT-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328420 689810866 /nfs/dbraw/zinc/81/08/66/689810866.db2.gz VGORFBWCVUGWAO-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328420 689810867 /nfs/dbraw/zinc/81/08/67/689810867.db2.gz VGORFBWCVUGWAO-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001034768572 689944363 /nfs/dbraw/zinc/94/43/63/689944363.db2.gz IZLRDYZCCKVOGT-QAQDUYKDSA-N 2 2 322.412 2.136 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001036270463 690305953 /nfs/dbraw/zinc/30/59/53/690305953.db2.gz ZEIPUZCIAGIVCB-WCQYABFASA-N 2 2 324.856 2.266 20 30 DEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001037856505 690625151 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CC(C)(NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1ccc(C#N)cc1 ZINC001219989486 802399213 /nfs/dbraw/zinc/39/92/13/802399213.db2.gz CGMLEBMCSCNAJD-QGZVFWFLSA-N 2 2 322.412 2.182 20 30 DEEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098305 802642606 /nfs/dbraw/zinc/64/26/06/802642606.db2.gz HJVOXPVYZCVCNY-IAGOWNOFSA-N 2 2 318.465 2.386 20 30 DEEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098305 802642609 /nfs/dbraw/zinc/64/26/09/802642609.db2.gz HJVOXPVYZCVCNY-IAGOWNOFSA-N 2 2 318.465 2.386 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001224691527 802893588 /nfs/dbraw/zinc/89/35/88/802893588.db2.gz HAQBSXRRYCVSJP-CQSZACIVSA-N 2 2 324.856 2.415 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228837094 803419409 /nfs/dbraw/zinc/41/94/09/803419409.db2.gz YQBRVHKNQACERD-ARFHVFGLSA-N 2 2 304.438 2.427 20 30 DEEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001343355904 1150737500 /nfs/dbraw/zinc/73/75/00/1150737500.db2.gz IFRXKXWJYMWLFH-HNNXBMFYSA-N 2 2 307.463 2.076 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001328651536 1148820638 /nfs/dbraw/zinc/82/06/38/1148820638.db2.gz ZNEKOBBHWRMIIX-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001500116356 1058501460 /nfs/dbraw/zinc/50/14/60/1058501460.db2.gz DNJRHPDDDPVXNN-OAHLLOKOSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001502753606 1060273389 /nfs/dbraw/zinc/27/33/89/1060273389.db2.gz CLDXGSMZXDHQTL-PBHICJAKSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001472129511 1060425715 /nfs/dbraw/zinc/42/57/15/1060425715.db2.gz NODHHBUWSBAOPP-UHFFFAOYSA-N 2 2 322.412 2.206 20 30 DEEDLP C=CC[N@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001472129511 1060425731 /nfs/dbraw/zinc/42/57/31/1060425731.db2.gz NODHHBUWSBAOPP-UHFFFAOYSA-N 2 2 322.412 2.206 20 30 DEEDLP C=C(C)CC[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001505522131 1060676810 /nfs/dbraw/zinc/67/68/10/1060676810.db2.gz WCZLPPUNJQOUIH-FHERZECASA-N 2 2 304.438 2.285 20 30 DEEDLP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001479822665 1061842642 /nfs/dbraw/zinc/84/26/42/1061842642.db2.gz BNPNSYVLVYOIKW-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001480089639 1062312153 /nfs/dbraw/zinc/31/21/53/1062312153.db2.gz UGURYGZEYHIYBA-INIZCTEOSA-N 2 2 318.465 2.099 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001480089639 1062312177 /nfs/dbraw/zinc/31/21/77/1062312177.db2.gz UGURYGZEYHIYBA-INIZCTEOSA-N 2 2 318.465 2.099 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001507358407 1063151163 /nfs/dbraw/zinc/15/11/63/1063151163.db2.gz TXFQDGVKNMGXBR-FUHWJXTLSA-N 2 2 316.449 2.422 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001507358407 1063151177 /nfs/dbraw/zinc/15/11/77/1063151177.db2.gz TXFQDGVKNMGXBR-FUHWJXTLSA-N 2 2 316.449 2.422 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001507358407 1063151190 /nfs/dbraw/zinc/15/11/90/1063151190.db2.gz TXFQDGVKNMGXBR-FUHWJXTLSA-N 2 2 316.449 2.422 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001507358407 1063151205 /nfs/dbraw/zinc/15/12/05/1063151205.db2.gz TXFQDGVKNMGXBR-FUHWJXTLSA-N 2 2 316.449 2.422 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480730222 1063259606 /nfs/dbraw/zinc/25/96/06/1063259606.db2.gz LRCLIAYAJAAWQZ-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480730222 1063259624 /nfs/dbraw/zinc/25/96/24/1063259624.db2.gz LRCLIAYAJAAWQZ-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001493965525 1064045826 /nfs/dbraw/zinc/04/58/26/1064045826.db2.gz VEATYLFWFBTVKJ-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001493965525 1064045830 /nfs/dbraw/zinc/04/58/30/1064045830.db2.gz VEATYLFWFBTVKJ-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001494035776 1064095282 /nfs/dbraw/zinc/09/52/82/1064095282.db2.gz UVAZXLFNUBKVKP-QGZVFWFLSA-N 2 2 313.445 2.472 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001494035776 1064095287 /nfs/dbraw/zinc/09/52/87/1064095287.db2.gz UVAZXLFNUBKVKP-QGZVFWFLSA-N 2 2 313.445 2.472 20 30 DEEDLP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001567925586 1064528707 /nfs/dbraw/zinc/52/87/07/1064528707.db2.gz PSRFKUPEXBNNJR-MRXNPFEDSA-N 2 2 320.481 2.466 20 30 DEEDLP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001567925586 1064528725 /nfs/dbraw/zinc/52/87/25/1064528725.db2.gz PSRFKUPEXBNNJR-MRXNPFEDSA-N 2 2 320.481 2.466 20 30 DEEDLP C#CCC[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001568023537 1064602287 /nfs/dbraw/zinc/60/22/87/1064602287.db2.gz VJJCKVMTJWNLJN-GOSISDBHSA-N 2 2 310.401 2.074 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001568060137 1064625527 /nfs/dbraw/zinc/62/55/27/1064625527.db2.gz GGGXQMYOVKHNMV-ARFHVFGLSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001568060137 1064625535 /nfs/dbraw/zinc/62/55/35/1064625535.db2.gz GGGXQMYOVKHNMV-ARFHVFGLSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001568400271 1064837911 /nfs/dbraw/zinc/83/79/11/1064837911.db2.gz GMNMOOAHRFPNEW-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568522699 1064932138 /nfs/dbraw/zinc/93/21/38/1064932138.db2.gz DYPABGUWUCVESZ-IRXDYDNUSA-N 2 2 324.428 2.154 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001568528866 1064940794 /nfs/dbraw/zinc/94/07/94/1064940794.db2.gz RSFHDHUSUUBHPC-GOEBONIOSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001568528866 1064940808 /nfs/dbraw/zinc/94/08/08/1064940808.db2.gz RSFHDHUSUUBHPC-GOEBONIOSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001496410092 1065453047 /nfs/dbraw/zinc/45/30/47/1065453047.db2.gz BDBYRVYHOJMWHY-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001569673053 1065664255 /nfs/dbraw/zinc/66/42/55/1065664255.db2.gz SCZPASJHFHLOFQ-GOSISDBHSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001569724355 1065692312 /nfs/dbraw/zinc/69/23/12/1065692312.db2.gz VJUGOTYYHNHCTC-SFHVURJKSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001569724355 1065692315 /nfs/dbraw/zinc/69/23/15/1065692315.db2.gz VJUGOTYYHNHCTC-SFHVURJKSA-N 2 2 318.465 2.147 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCC1 ZINC001570108210 1065926633 /nfs/dbraw/zinc/92/66/33/1065926633.db2.gz NXEOCFKUEJTEDV-MRXNPFEDSA-N 2 2 316.449 2.122 20 30 DEEDLP C=C(C)CC[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498586522 1066788687 /nfs/dbraw/zinc/78/86/87/1066788687.db2.gz PYTBIMHBIZDJCC-UHFFFAOYSA-N 2 2 306.454 2.331 20 30 DEEDLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc21 ZINC001578429599 1067100480 /nfs/dbraw/zinc/10/04/80/1067100480.db2.gz CMBMDNNRECIDQQ-HNNXBMFYSA-N 2 2 311.389 2.260 20 30 DEEDLP C=CC[NH2+]C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001267870840 1079557587 /nfs/dbraw/zinc/55/75/87/1079557587.db2.gz RDJZZEQCQOSUPJ-RDJZCZTQSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001267085608 1078559121 /nfs/dbraw/zinc/55/91/21/1078559121.db2.gz PTXUVFMFPYGBRW-HZPDHXFCSA-N 2 2 318.465 2.336 20 30 DEEDLP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001571625594 1068447117 /nfs/dbraw/zinc/44/71/17/1068447117.db2.gz HJRHPRMKRJFYDM-UMVBOHGHSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001571625594 1068447120 /nfs/dbraw/zinc/44/71/20/1068447120.db2.gz HJRHPRMKRJFYDM-UMVBOHGHSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001571626965 1068448318 /nfs/dbraw/zinc/44/83/18/1068448318.db2.gz LRIRSFLGOOGFSR-GDBMZVCRSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001272279737 1078778106 /nfs/dbraw/zinc/77/81/06/1078778106.db2.gz JRJDNHHKCUVGEW-CABCVRRESA-N 2 2 312.417 2.399 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001283619111 1078935039 /nfs/dbraw/zinc/93/50/39/1078935039.db2.gz YJYXYCKYSJAWGG-JKSUJKDBSA-N 2 2 306.454 2.483 20 30 DEEDLP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001267520766 1078950116 /nfs/dbraw/zinc/95/01/16/1078950116.db2.gz NTFQBDMVCDSEFZ-IRXDYDNUSA-N 2 2 324.428 2.079 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001483810635 1079135956 /nfs/dbraw/zinc/13/59/56/1079135956.db2.gz GDZHRUORRSQDJH-OIISXLGYSA-N 2 2 316.449 2.372 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001483810635 1079135958 /nfs/dbraw/zinc/13/59/58/1079135958.db2.gz GDZHRUORRSQDJH-OIISXLGYSA-N 2 2 316.449 2.372 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001483968417 1079219602 /nfs/dbraw/zinc/21/96/02/1079219602.db2.gz XABHGXCDEARTDC-UHFFFAOYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001483968417 1079219607 /nfs/dbraw/zinc/21/96/07/1079219607.db2.gz XABHGXCDEARTDC-UHFFFAOYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001267633558 1079318480 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UYDLCNHSWDWTMN-GOEBONIOSA-N 2 2 304.438 2.135 20 30 DEEDLP N#Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1N1CC[NH2+]CC1 ZINC001240219904 1139299102 /nfs/dbraw/zinc/29/91/02/1139299102.db2.gz ZNKNWYLOLQZXAY-UHFFFAOYSA-N 2 2 303.369 2.283 20 30 DEEDLP C#CCC[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001319000336 1140489003 /nfs/dbraw/zinc/48/90/03/1140489003.db2.gz OJWZQHODXUWMDX-INIZCTEOSA-N 2 2 324.428 2.264 20 30 DEEDLP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001319819644 1140741444 /nfs/dbraw/zinc/74/14/44/1140741444.db2.gz VHOVDWIPUDHTHR-WBVHZDCISA-N 2 2 313.445 2.470 20 30 DEEDLP CCCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001278424557 1140844035 /nfs/dbraw/zinc/84/40/35/1140844035.db2.gz STSQTCIUDURHHF-HOTGVXAUSA-N 2 2 306.454 2.433 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CC ZINC001323157789 1141819039 /nfs/dbraw/zinc/81/90/39/1141819039.db2.gz FJUZIOWJGIIIMJ-RDJZCZTQSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001324161524 1142019724 /nfs/dbraw/zinc/01/97/24/1142019724.db2.gz GYGTVEJJLOEJHS-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C#CC(CC)(CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252915738 1142829381 /nfs/dbraw/zinc/82/93/81/1142829381.db2.gz KVQOYWJJKAXWSJ-LJQANCHMSA-N 2 2 300.446 2.405 20 30 DEEDLP C#CC(CC)(CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252915738 1142829382 /nfs/dbraw/zinc/82/93/82/1142829382.db2.gz KVQOYWJJKAXWSJ-LJQANCHMSA-N 2 2 300.446 2.405 20 30 DEEDLP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001254345141 1143085293 /nfs/dbraw/zinc/08/52/93/1143085293.db2.gz SGYRAMIDNOVRQN-LXPRWKDFSA-N 2 2 317.408 2.189 20 30 DEEDLP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001254345141 1143085305 /nfs/dbraw/zinc/08/53/05/1143085305.db2.gz SGYRAMIDNOVRQN-LXPRWKDFSA-N 2 2 317.408 2.189 20 30 DEEDLP COc1cc(N([C@@H]2CC[C@H](C#N)C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001254676935 1143310228 /nfs/dbraw/zinc/31/02/28/1143310228.db2.gz OXWILGZMGYBHFZ-DZGCQCFKSA-N 2 2 300.406 2.341 20 30 DEEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255685025 1143801908 /nfs/dbraw/zinc/80/19/08/1143801908.db2.gz XIKWFUIWCCBXRZ-XYPWUTKMSA-N 2 2 319.449 2.171 20 30 DEEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255685025 1143801909 /nfs/dbraw/zinc/80/19/09/1143801909.db2.gz XIKWFUIWCCBXRZ-XYPWUTKMSA-N 2 2 319.449 2.171 20 30 DEEDLP N#Cc1cccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256081093 1143828867 /nfs/dbraw/zinc/82/88/67/1143828867.db2.gz OAVLCJVRLDJRPK-UHFFFAOYSA-N 2 2 310.445 2.307 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001263957438 1144432464 /nfs/dbraw/zinc/43/24/64/1144432464.db2.gz DLCSFUULQXVXAP-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378586 1144519703 /nfs/dbraw/zinc/51/97/03/1144519703.db2.gz MVADGEPZGCIRFW-HIFRSBDPSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378586 1144519707 /nfs/dbraw/zinc/51/97/07/1144519707.db2.gz MVADGEPZGCIRFW-HIFRSBDPSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265004819 1144623406 /nfs/dbraw/zinc/62/34/06/1144623406.db2.gz XROIPYDSWVIKFF-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265004819 1144623413 /nfs/dbraw/zinc/62/34/13/1144623413.db2.gz XROIPYDSWVIKFF-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001282663376 1145115281 /nfs/dbraw/zinc/11/52/81/1145115281.db2.gz CJWBAYMYCCFTTR-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001282663376 1145115295 /nfs/dbraw/zinc/11/52/95/1145115295.db2.gz CJWBAYMYCCFTTR-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001282726760 1145148762 /nfs/dbraw/zinc/14/87/62/1145148762.db2.gz WVIQVYVBYJOMPN-LSDHHAIUSA-N 2 2 318.465 2.144 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284031601 1145760999 /nfs/dbraw/zinc/76/09/99/1145760999.db2.gz KSSUUMBWXYZAEF-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001284095749 1145796847 /nfs/dbraw/zinc/79/68/47/1145796847.db2.gz JGJOKPMHQZNKIP-BHYGNILZSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001308256213 1147460973 /nfs/dbraw/zinc/46/09/73/1147460973.db2.gz MIOMYORGNCQJBE-FUHWJXTLSA-N 2 2 302.418 2.204 20 30 DEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001308256213 1147460978 /nfs/dbraw/zinc/46/09/78/1147460978.db2.gz MIOMYORGNCQJBE-FUHWJXTLSA-N 2 2 302.418 2.204 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001366741760 1147530862 /nfs/dbraw/zinc/53/08/62/1147530862.db2.gz SLPYNIOKUFBHDI-OAHLLOKOSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001366741760 1147530865 /nfs/dbraw/zinc/53/08/65/1147530865.db2.gz SLPYNIOKUFBHDI-OAHLLOKOSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001366741760 1147530869 /nfs/dbraw/zinc/53/08/69/1147530869.db2.gz SLPYNIOKUFBHDI-OAHLLOKOSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001366741760 1147530873 /nfs/dbraw/zinc/53/08/73/1147530873.db2.gz SLPYNIOKUFBHDI-OAHLLOKOSA-N 2 2 313.873 2.192 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317423678 1147704992 /nfs/dbraw/zinc/70/49/92/1147704992.db2.gz OOAKJFAAPCDNRR-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317423678 1147704993 /nfs/dbraw/zinc/70/49/93/1147704993.db2.gz OOAKJFAAPCDNRR-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001367869771 1147763848 /nfs/dbraw/zinc/76/38/48/1147763848.db2.gz UXUFFPHXORZANW-KGLIPLIRSA-N 2 2 324.856 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001325945280 1148022898 /nfs/dbraw/zinc/02/28/98/1148022898.db2.gz AKMKPCWCWYWWTB-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001325945280 1148022900 /nfs/dbraw/zinc/02/29/00/1148022900.db2.gz AKMKPCWCWYWWTB-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CC=CCC3)CC2)cc1 ZINC000279878740 215201980 /nfs/dbraw/zinc/20/19/80/215201980.db2.gz ULSUZVAYJWLINX-UHFFFAOYSA-N 2 2 324.472 2.374 20 30 DEEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595473612 358458244 /nfs/dbraw/zinc/45/82/44/358458244.db2.gz YENOOOANKSTVJK-LJQANCHMSA-N 2 2 313.445 2.287 20 30 DEEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595473612 358458247 /nfs/dbraw/zinc/45/82/47/358458247.db2.gz YENOOOANKSTVJK-LJQANCHMSA-N 2 2 313.445 2.287 20 30 DEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329818133 539930175 /nfs/dbraw/zinc/93/01/75/539930175.db2.gz GDHGAXIMPGCUMW-CQSZACIVSA-N 2 2 319.453 2.123 20 30 DEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329818133 539930178 /nfs/dbraw/zinc/93/01/78/539930178.db2.gz GDHGAXIMPGCUMW-CQSZACIVSA-N 2 2 319.453 2.123 20 30 DEEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000173617494 198233003 /nfs/dbraw/zinc/23/30/03/198233003.db2.gz KGAOWWSMHHVAST-CQSZACIVSA-N 2 2 314.433 2.348 20 30 DEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632458 358507842 /nfs/dbraw/zinc/50/78/42/358507842.db2.gz WZYMLPAJBYIRGF-CQSZACIVSA-N 2 2 304.463 2.226 20 30 DEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632458 358507845 /nfs/dbraw/zinc/50/78/45/358507845.db2.gz WZYMLPAJBYIRGF-CQSZACIVSA-N 2 2 304.463 2.226 20 30 DEEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592522588 357893932 /nfs/dbraw/zinc/89/39/32/357893932.db2.gz PDUXWWSPHVCICM-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592522588 357893937 /nfs/dbraw/zinc/89/39/37/357893937.db2.gz PDUXWWSPHVCICM-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522588 357893941 /nfs/dbraw/zinc/89/39/41/357893941.db2.gz PDUXWWSPHVCICM-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522588 357893945 /nfs/dbraw/zinc/89/39/45/357893945.db2.gz PDUXWWSPHVCICM-IBGZPJMESA-N 2 2 315.461 2.495 20 30 DEEDLP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000187678021 200142998 /nfs/dbraw/zinc/14/29/98/200142998.db2.gz AMWGMEPFXGYHCS-ZWKOTPCHSA-N 2 2 313.445 2.272 20 30 DEEDLP C[N@H+](CC1(CC#N)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602810121 360567233 /nfs/dbraw/zinc/56/72/33/360567233.db2.gz DAOLLIHLHBVOQQ-LJQANCHMSA-N 2 2 313.445 2.249 20 30 DEEDLP C[N@@H+](CC1(CC#N)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602810121 360567238 /nfs/dbraw/zinc/56/72/38/360567238.db2.gz DAOLLIHLHBVOQQ-LJQANCHMSA-N 2 2 313.445 2.249 20 30 DEEDLP C[NH+](CC1(CC#N)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602810121 360567239 /nfs/dbraw/zinc/56/72/39/360567239.db2.gz DAOLLIHLHBVOQQ-LJQANCHMSA-N 2 2 313.445 2.249 20 30 DEEDLP C[NH+](CC1(CC#N)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602810121 360567245 /nfs/dbraw/zinc/56/72/45/360567245.db2.gz DAOLLIHLHBVOQQ-LJQANCHMSA-N 2 2 313.445 2.249 20 30 DEEDLP C=CCOc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000668793568 540731513 /nfs/dbraw/zinc/73/15/13/540731513.db2.gz GOOIXOWUGLOLLC-UHFFFAOYSA-N 2 2 312.417 2.307 20 30 DEEDLP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000271923014 209326283 /nfs/dbraw/zinc/32/62/83/209326283.db2.gz FIJKPNOZBJPERP-KGLIPLIRSA-N 2 2 305.397 2.316 20 30 DEEDLP C[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271899307 209308380 /nfs/dbraw/zinc/30/83/80/209308380.db2.gz VCGDUJRYXQQMDC-OAHLLOKOSA-N 2 2 301.434 2.131 20 30 DEEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619722300 363866142 /nfs/dbraw/zinc/86/61/42/363866142.db2.gz JXSWBKSRAVNSOK-HNNXBMFYSA-N 2 2 303.406 2.126 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000268961712 207124986 /nfs/dbraw/zinc/12/49/86/207124986.db2.gz JBGGSCQPNMEVAF-SJORKVTESA-N 2 2 303.406 2.009 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682361510 542287103 /nfs/dbraw/zinc/28/71/03/542287103.db2.gz ZVQHQUVOJMWTPJ-SJLPKXTDSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682361510 542287106 /nfs/dbraw/zinc/28/71/06/542287106.db2.gz ZVQHQUVOJMWTPJ-SJLPKXTDSA-N 2 2 307.482 2.216 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000120324141 195143829 /nfs/dbraw/zinc/14/38/29/195143829.db2.gz JEARALUEQVVVGU-KRWDZBQOSA-N 2 2 316.445 2.147 20 30 DEEDLP C=C(C)[C@H](CO)[NH+]1CCC[C@@]2(CCC[N@@H+]([C@H](CO)C(=C)C)C2)C1 ZINC000685593215 542742473 /nfs/dbraw/zinc/74/24/73/542742473.db2.gz QMZKSPGACMPWSA-CEXWTWQISA-N 2 2 322.493 2.038 20 30 DEEDLP C=C(C)[C@H](CO)[NH+]1CCC[C@@]2(CCC[N@H+]([C@H](CO)C(=C)C)C2)C1 ZINC000685593215 542742477 /nfs/dbraw/zinc/74/24/77/542742477.db2.gz QMZKSPGACMPWSA-CEXWTWQISA-N 2 2 322.493 2.038 20 30 DEEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@]2(CCC[NH+]([C@H](CO)C(=C)C)C2)C1 ZINC000685593215 542742478 /nfs/dbraw/zinc/74/24/78/542742478.db2.gz QMZKSPGACMPWSA-CEXWTWQISA-N 2 2 322.493 2.038 20 30 DEEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@@]2(CCC[NH+]([C@H](CO)C(=C)C)C2)C1 ZINC000685593215 542742479 /nfs/dbraw/zinc/74/24/79/542742479.db2.gz QMZKSPGACMPWSA-CEXWTWQISA-N 2 2 322.493 2.038 20 30 DEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000563357325 292049144 /nfs/dbraw/zinc/04/91/44/292049144.db2.gz SMXVZCHJIJWIPU-UHFFFAOYSA-N 2 2 323.444 2.042 20 30 DEEDLP Cn1c[nH+]cc1CCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563357325 292049145 /nfs/dbraw/zinc/04/91/45/292049145.db2.gz SMXVZCHJIJWIPU-UHFFFAOYSA-N 2 2 323.444 2.042 20 30 DEEDLP Cn1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1C#N ZINC000190744272 145047313 /nfs/dbraw/zinc/04/73/13/145047313.db2.gz PYNFXOXGRFKSOO-UHFFFAOYSA-N 2 2 319.412 2.474 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292519 148083517 /nfs/dbraw/zinc/08/35/17/148083517.db2.gz CLZKVRMLRPDYER-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292519 148083519 /nfs/dbraw/zinc/08/35/19/148083519.db2.gz CLZKVRMLRPDYER-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP N#CCC[C@H](C#N)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182968163 402730070 /nfs/dbraw/zinc/73/00/70/402730070.db2.gz JKLNRBQCGVOPNS-GOSISDBHSA-N 2 2 318.465 2.254 20 30 DEEDLP C=CC[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277637874 403239711 /nfs/dbraw/zinc/23/97/11/403239711.db2.gz XNXZCFYSYRKPDJ-UHFFFAOYSA-N 2 2 319.478 2.092 20 30 DEEDLP C=CC[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277637874 403239714 /nfs/dbraw/zinc/23/97/14/403239714.db2.gz XNXZCFYSYRKPDJ-UHFFFAOYSA-N 2 2 319.478 2.092 20 30 DEEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000342738941 403328712 /nfs/dbraw/zinc/32/87/12/403328712.db2.gz NKRPCOXPEXYOLG-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000342738941 403328715 /nfs/dbraw/zinc/32/87/15/403328715.db2.gz NKRPCOXPEXYOLG-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238309 404000276 /nfs/dbraw/zinc/00/02/76/404000276.db2.gz ISJYEPNJMIBFIJ-UKPHBRMFSA-N 2 2 316.424 2.206 20 30 DEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238309 404000285 /nfs/dbraw/zinc/00/02/85/404000285.db2.gz ISJYEPNJMIBFIJ-UKPHBRMFSA-N 2 2 316.424 2.206 20 30 DEEDLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1C#N ZINC000369673874 404187729 /nfs/dbraw/zinc/18/77/29/404187729.db2.gz KDAMALUHAMDIHA-UHFFFAOYSA-N 2 2 319.368 2.437 20 30 DEEDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353408332 404824912 /nfs/dbraw/zinc/82/49/12/404824912.db2.gz CRTAELBUGXZQPV-IEBWSBKVSA-N 2 2 313.445 2.228 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429889 404829141 /nfs/dbraw/zinc/82/91/41/404829141.db2.gz VDHATYIIXGECBB-MJGOQNOKSA-N 2 2 313.445 2.492 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429889 404829144 /nfs/dbraw/zinc/82/91/44/404829144.db2.gz VDHATYIIXGECBB-MJGOQNOKSA-N 2 2 313.445 2.492 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)s1 ZINC000378375889 404948218 /nfs/dbraw/zinc/94/82/18/404948218.db2.gz ZNZWQMLEGLMSEK-WQVCFCJDSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)s1 ZINC000378375889 404948224 /nfs/dbraw/zinc/94/82/24/404948224.db2.gz ZNZWQMLEGLMSEK-WQVCFCJDSA-N 2 2 305.447 2.303 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)n2c1 ZINC000449552727 405611424 /nfs/dbraw/zinc/61/14/24/405611424.db2.gz JWEOLLKWAQOLCD-HLLBOEOZSA-N 2 2 310.401 2.189 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)n2c1 ZINC000449552727 405611425 /nfs/dbraw/zinc/61/14/25/405611425.db2.gz JWEOLLKWAQOLCD-HLLBOEOZSA-N 2 2 310.401 2.189 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423495159 405826372 /nfs/dbraw/zinc/82/63/72/405826372.db2.gz DYJMKSVVNZMSPO-IEBWSBKVSA-N 3 2 312.461 2.240 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000423573628 405858019 /nfs/dbraw/zinc/85/80/19/405858019.db2.gz ZGCZLCKRWNDBAK-UHFFFAOYSA-N 3 2 312.461 2.254 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(CC#N)CC3)c2cc1C ZINC000567699944 406121743 /nfs/dbraw/zinc/12/17/43/406121743.db2.gz AFCZKPISJKPGIP-OAHLLOKOSA-N 2 2 312.417 2.298 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068503 406249947 /nfs/dbraw/zinc/24/99/47/406249947.db2.gz GBOWVBLVUYVYAN-UKRRQHHQSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068503 406249948 /nfs/dbraw/zinc/24/99/48/406249948.db2.gz GBOWVBLVUYVYAN-UKRRQHHQSA-N 2 2 323.400 2.108 20 30 DEEDLP C=CCC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000641786738 406891634 /nfs/dbraw/zinc/89/16/34/406891634.db2.gz RVBROOPBOUXBMQ-RBUKOAKNSA-N 2 2 321.509 2.117 20 30 DEEDLP C=CCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654445569 425355534 /nfs/dbraw/zinc/35/55/34/425355534.db2.gz VEIMYCYFDPLDDP-INIZCTEOSA-N 2 2 322.497 2.201 20 30 DEEDLP C=CCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654445569 425355536 /nfs/dbraw/zinc/35/55/36/425355536.db2.gz VEIMYCYFDPLDDP-INIZCTEOSA-N 2 2 322.497 2.201 20 30 DEEDLP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000329796973 297320305 /nfs/dbraw/zinc/32/03/05/297320305.db2.gz FGESLMNNMODXBH-MGPQQGTHSA-N 2 2 305.426 2.333 20 30 DEEDLP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000329796973 297320308 /nfs/dbraw/zinc/32/03/08/297320308.db2.gz FGESLMNNMODXBH-MGPQQGTHSA-N 2 2 305.426 2.333 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001378154850 1161061407 /nfs/dbraw/zinc/06/14/07/1161061407.db2.gz NGGOUTNWMIHBRW-GJZGRUSLSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001378154850 1161061412 /nfs/dbraw/zinc/06/14/12/1161061412.db2.gz NGGOUTNWMIHBRW-GJZGRUSLSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001378154850 1161061416 /nfs/dbraw/zinc/06/14/16/1161061416.db2.gz NGGOUTNWMIHBRW-GJZGRUSLSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001378154850 1161061421 /nfs/dbraw/zinc/06/14/21/1161061421.db2.gz NGGOUTNWMIHBRW-GJZGRUSLSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247214854 526537479 /nfs/dbraw/zinc/53/74/79/526537479.db2.gz CNVOSOQSMDHAPL-IAGOWNOFSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247214854 526537486 /nfs/dbraw/zinc/53/74/86/526537486.db2.gz CNVOSOQSMDHAPL-IAGOWNOFSA-N 2 2 309.498 2.463 20 30 DEEDLP C=CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423102043 526886952 /nfs/dbraw/zinc/88/69/52/526886952.db2.gz JNOXAJDTBMZJJK-MSOLQXFVSA-N 2 2 302.418 2.108 20 30 DEEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344300613 527078619 /nfs/dbraw/zinc/07/86/19/527078619.db2.gz HEZFBZNHVFZIOZ-GOSISDBHSA-N 2 2 313.445 2.297 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001379654618 1152665786 /nfs/dbraw/zinc/66/57/86/1152665786.db2.gz JNAXSVVFQLPOQZ-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379654618 1152665790 /nfs/dbraw/zinc/66/57/90/1152665790.db2.gz JNAXSVVFQLPOQZ-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001379654618 1152665792 /nfs/dbraw/zinc/66/57/92/1152665792.db2.gz JNAXSVVFQLPOQZ-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001379654618 1152665796 /nfs/dbraw/zinc/66/57/96/1152665796.db2.gz JNAXSVVFQLPOQZ-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459802 625452859 /nfs/dbraw/zinc/45/28/59/625452859.db2.gz SQOQZIRHGKJIKA-LSDHHAIUSA-N 2 2 324.428 2.417 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459802 625452860 /nfs/dbraw/zinc/45/28/60/625452860.db2.gz SQOQZIRHGKJIKA-LSDHHAIUSA-N 2 2 324.428 2.417 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000328056151 625592330 /nfs/dbraw/zinc/59/23/30/625592330.db2.gz ANRZIDRLKAACKT-UHFFFAOYSA-N 2 2 310.825 2.402 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000328056151 625592340 /nfs/dbraw/zinc/59/23/40/625592340.db2.gz ANRZIDRLKAACKT-UHFFFAOYSA-N 2 2 310.825 2.402 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1csc(C#N)c1 ZINC000892233593 624859294 /nfs/dbraw/zinc/85/92/94/624859294.db2.gz GIPPRZPCWNUKRS-VNQPRFMTSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1csc(C#N)c1 ZINC000892233593 624859295 /nfs/dbraw/zinc/85/92/95/624859295.db2.gz GIPPRZPCWNUKRS-VNQPRFMTSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1csc(C#N)c1 ZINC000892233590 624859420 /nfs/dbraw/zinc/85/94/20/624859420.db2.gz GIPPRZPCWNUKRS-BMFZPTHFSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1csc(C#N)c1 ZINC000892233590 624859422 /nfs/dbraw/zinc/85/94/22/624859422.db2.gz GIPPRZPCWNUKRS-BMFZPTHFSA-N 2 2 305.447 2.303 20 30 DEEDLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000893114859 625120965 /nfs/dbraw/zinc/12/09/65/625120965.db2.gz XEHSEQYRAJHMPY-WOJBJXKFSA-N 2 2 312.457 2.396 20 30 DEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001026268349 625241138 /nfs/dbraw/zinc/24/11/38/625241138.db2.gz YQVRIXIVRMPUGJ-YESZJQIVSA-N 2 2 324.428 2.269 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974736772 633281219 /nfs/dbraw/zinc/28/12/19/633281219.db2.gz QFZUOLAMRMMSPQ-MRXNPFEDSA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974736772 633281221 /nfs/dbraw/zinc/28/12/21/633281221.db2.gz QFZUOLAMRMMSPQ-MRXNPFEDSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980272056 634918981 /nfs/dbraw/zinc/91/89/81/634918981.db2.gz FNOYWQCJPJYLBV-ULQDDVLXSA-N 2 2 316.449 2.066 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980272056 634918987 /nfs/dbraw/zinc/91/89/87/634918987.db2.gz FNOYWQCJPJYLBV-ULQDDVLXSA-N 2 2 316.449 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001000943924 635344985 /nfs/dbraw/zinc/34/49/85/635344985.db2.gz HCPBLMBSQFHBOZ-UHFFFAOYSA-N 2 2 310.401 2.272 20 30 DEEDLP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001000943924 635344990 /nfs/dbraw/zinc/34/49/90/635344990.db2.gz HCPBLMBSQFHBOZ-UHFFFAOYSA-N 2 2 310.401 2.272 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130827 635677045 /nfs/dbraw/zinc/67/70/45/635677045.db2.gz WOWYTJCTRYKTCZ-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028130827 635677048 /nfs/dbraw/zinc/67/70/48/635677048.db2.gz WOWYTJCTRYKTCZ-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061305 635849627 /nfs/dbraw/zinc/84/96/27/635849627.db2.gz OWRZBXJKAGWASK-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061305 635849628 /nfs/dbraw/zinc/84/96/28/635849628.db2.gz OWRZBXJKAGWASK-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061305 635849629 /nfs/dbraw/zinc/84/96/29/635849629.db2.gz OWRZBXJKAGWASK-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061305 635849630 /nfs/dbraw/zinc/84/96/30/635849630.db2.gz OWRZBXJKAGWASK-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003251889 635928663 /nfs/dbraw/zinc/92/86/63/635928663.db2.gz FOXLVPJYQODFFM-UHFFFAOYSA-N 2 2 318.808 2.281 20 30 DEEDLP CCO[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C[NH+](C)C ZINC000922755851 636378751 /nfs/dbraw/zinc/37/87/51/636378751.db2.gz ISIUPXHMMFEDRT-QGZVFWFLSA-N 2 2 301.434 2.298 20 30 DEEDLP COCCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000748788706 638591990 /nfs/dbraw/zinc/59/19/90/638591990.db2.gz BCSKBFSPMGEEQB-UHFFFAOYSA-N 2 2 311.813 2.089 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000986608672 639952806 /nfs/dbraw/zinc/95/28/06/639952806.db2.gz JADQOFNXRFLHMK-WMLDXEAASA-N 2 2 310.401 2.251 20 30 DEEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743408 641217463 /nfs/dbraw/zinc/21/74/63/641217463.db2.gz PKMHFDMIPOUYMQ-SFHVURJKSA-N 2 2 315.461 2.400 20 30 DEEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743408 641217468 /nfs/dbraw/zinc/21/74/68/641217468.db2.gz PKMHFDMIPOUYMQ-SFHVURJKSA-N 2 2 315.461 2.400 20 30 DEEDLP C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000776177777 642139743 /nfs/dbraw/zinc/13/97/43/642139743.db2.gz USAOQGCLQYBJNY-MRXNPFEDSA-N 2 2 300.450 2.132 20 30 DEEDLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000776177777 642139747 /nfs/dbraw/zinc/13/97/47/642139747.db2.gz USAOQGCLQYBJNY-MRXNPFEDSA-N 2 2 300.450 2.132 20 30 DEEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000780353753 642615289 /nfs/dbraw/zinc/61/52/89/642615289.db2.gz GZJMWTPNTOIMHJ-MSOLQXFVSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000780353753 642615291 /nfs/dbraw/zinc/61/52/91/642615291.db2.gz GZJMWTPNTOIMHJ-MSOLQXFVSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000780353753 642615294 /nfs/dbraw/zinc/61/52/94/642615294.db2.gz GZJMWTPNTOIMHJ-MSOLQXFVSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000780353753 642615295 /nfs/dbraw/zinc/61/52/95/642615295.db2.gz GZJMWTPNTOIMHJ-MSOLQXFVSA-N 2 2 314.429 2.320 20 30 DEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902972879 643215484 /nfs/dbraw/zinc/21/54/84/643215484.db2.gz KHYZDTGTQLSUMU-LSDHHAIUSA-N 2 2 302.422 2.105 20 30 DEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902972879 643215487 /nfs/dbraw/zinc/21/54/87/643215487.db2.gz KHYZDTGTQLSUMU-LSDHHAIUSA-N 2 2 302.422 2.105 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000907411316 644535968 /nfs/dbraw/zinc/53/59/68/644535968.db2.gz NPIJNHGLCJZDOI-OAHLLOKOSA-N 2 2 321.490 2.461 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993358117 647626114 /nfs/dbraw/zinc/62/61/14/647626114.db2.gz YOEFKZURLHXHHI-GDBMZVCRSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993358117 647626117 /nfs/dbraw/zinc/62/61/17/647626117.db2.gz YOEFKZURLHXHHI-GDBMZVCRSA-N 2 2 312.417 2.411 20 30 DEEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993399353 647649147 /nfs/dbraw/zinc/64/91/47/647649147.db2.gz SSQMEONJHXOFQI-HIFRSBDPSA-N 2 2 319.474 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993399353 647649150 /nfs/dbraw/zinc/64/91/50/647649150.db2.gz SSQMEONJHXOFQI-HIFRSBDPSA-N 2 2 319.474 2.026 20 30 DEEDLP C=CCCn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)nn1 ZINC000850059555 651816727 /nfs/dbraw/zinc/81/67/27/651816727.db2.gz KNWDVMSZAAEBOT-HNNXBMFYSA-N 2 2 302.426 2.255 20 30 DEEDLP N#CC1(c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000850119317 651833959 /nfs/dbraw/zinc/83/39/59/651833959.db2.gz NFOKUMSTUONCPY-QZTJIDSGSA-N 2 2 311.429 2.195 20 30 DEEDLP N#CC1(c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000850119317 651833965 /nfs/dbraw/zinc/83/39/65/651833965.db2.gz NFOKUMSTUONCPY-QZTJIDSGSA-N 2 2 311.429 2.195 20 30 DEEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000850119314 651834423 /nfs/dbraw/zinc/83/44/23/651834423.db2.gz NFOKUMSTUONCPY-MSOLQXFVSA-N 2 2 311.429 2.195 20 30 DEEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000850119314 651834431 /nfs/dbraw/zinc/83/44/31/651834431.db2.gz NFOKUMSTUONCPY-MSOLQXFVSA-N 2 2 311.429 2.195 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001373683399 1157260466 /nfs/dbraw/zinc/26/04/66/1157260466.db2.gz WGBDHOGIEXCLMW-CABCVRRESA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001373683399 1157260483 /nfs/dbraw/zinc/26/04/83/1157260483.db2.gz WGBDHOGIEXCLMW-CABCVRRESA-N 2 2 315.889 2.392 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204757 693881755 /nfs/dbraw/zinc/88/17/55/693881755.db2.gz CNTSGMRXECJNBA-WMZOPIPTSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204757 693881760 /nfs/dbraw/zinc/88/17/60/693881760.db2.gz CNTSGMRXECJNBA-WMZOPIPTSA-N 2 2 316.449 2.335 20 30 DEEDLP CCC(CC)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000303778975 685234144 /nfs/dbraw/zinc/23/41/44/685234144.db2.gz KFICQNWCHOBKRA-WBVHZDCISA-N 2 2 324.513 2.170 20 30 DEEDLP Cc1c[nH+]ccc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000863157421 686439008 /nfs/dbraw/zinc/43/90/08/686439008.db2.gz ADCPSYBPIGYHHT-UHFFFAOYSA-N 2 2 310.401 2.219 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001054797631 694046894 /nfs/dbraw/zinc/04/68/94/694046894.db2.gz JQFYKIQFSQKAAM-BMIGLBTASA-N 2 2 318.808 2.366 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618394 687925937 /nfs/dbraw/zinc/92/59/37/687925937.db2.gz RZLHUMDOJRJFMD-KSZLIROESA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618394 687925939 /nfs/dbraw/zinc/92/59/39/687925939.db2.gz RZLHUMDOJRJFMD-KSZLIROESA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618394 687925944 /nfs/dbraw/zinc/92/59/44/687925944.db2.gz RZLHUMDOJRJFMD-KSZLIROESA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618394 687925950 /nfs/dbraw/zinc/92/59/50/687925950.db2.gz RZLHUMDOJRJFMD-KSZLIROESA-N 2 2 317.477 2.255 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017663343 687935180 /nfs/dbraw/zinc/93/51/80/687935180.db2.gz RKFWBDNLXZLZIG-GASCZTMLSA-N 2 2 310.401 2.428 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017663343 687935182 /nfs/dbraw/zinc/93/51/82/687935182.db2.gz RKFWBDNLXZLZIG-GASCZTMLSA-N 2 2 310.401 2.428 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001018006923 688025812 /nfs/dbraw/zinc/02/58/12/688025812.db2.gz GZODRDIVZNDKCD-OAGGEKHMSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001018006923 688025817 /nfs/dbraw/zinc/02/58/17/688025817.db2.gz GZODRDIVZNDKCD-OAGGEKHMSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033193727 689420007 /nfs/dbraw/zinc/42/00/07/689420007.db2.gz UZFCZBBYGPJWNB-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033193727 689420011 /nfs/dbraw/zinc/42/00/11/689420011.db2.gz UZFCZBBYGPJWNB-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033428748 689496925 /nfs/dbraw/zinc/49/69/25/689496925.db2.gz BAUZZEWVUDNQHH-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033428748 689496927 /nfs/dbraw/zinc/49/69/27/689496927.db2.gz BAUZZEWVUDNQHH-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034396112 689834350 /nfs/dbraw/zinc/83/43/50/689834350.db2.gz CJSLBUDULFPBOK-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034396112 689834353 /nfs/dbraw/zinc/83/43/53/689834353.db2.gz CJSLBUDULFPBOK-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034396112 689834357 /nfs/dbraw/zinc/83/43/57/689834357.db2.gz CJSLBUDULFPBOK-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034396112 689834360 /nfs/dbraw/zinc/83/43/60/689834360.db2.gz CJSLBUDULFPBOK-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001034736885 689937099 /nfs/dbraw/zinc/93/70/99/689937099.db2.gz NKDOOCZGHWJWEZ-KLHDSHLOSA-N 2 2 316.449 2.117 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259963 690076881 /nfs/dbraw/zinc/07/68/81/690076881.db2.gz YZMPUHVSZZXGEY-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259963 690076883 /nfs/dbraw/zinc/07/68/83/690076883.db2.gz YZMPUHVSZZXGEY-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036772410 690468923 /nfs/dbraw/zinc/46/89/23/690468923.db2.gz WZLHVYIIUOUWRJ-JKSUJKDBSA-N 2 2 324.428 2.447 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036772410 690468924 /nfs/dbraw/zinc/46/89/24/690468924.db2.gz WZLHVYIIUOUWRJ-JKSUJKDBSA-N 2 2 324.428 2.447 20 30 DEEDLP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000931481446 694409017 /nfs/dbraw/zinc/40/90/17/694409017.db2.gz IEORSQLKFUAXON-UHFFFAOYSA-N 2 2 307.825 2.100 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039239005 691064717 /nfs/dbraw/zinc/06/47/17/691064717.db2.gz PXOQPKQYGPHWAN-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039239005 691064720 /nfs/dbraw/zinc/06/47/20/691064720.db2.gz PXOQPKQYGPHWAN-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255490 691071211 /nfs/dbraw/zinc/07/12/11/691071211.db2.gz AYSWIOZKNIFCST-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255490 691071214 /nfs/dbraw/zinc/07/12/14/691071214.db2.gz AYSWIOZKNIFCST-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039385145 691093844 /nfs/dbraw/zinc/09/38/44/691093844.db2.gz ZQFVVKRUGSQHNC-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039385145 691093845 /nfs/dbraw/zinc/09/38/45/691093845.db2.gz ZQFVVKRUGSQHNC-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039385145 691093847 /nfs/dbraw/zinc/09/38/47/691093847.db2.gz ZQFVVKRUGSQHNC-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039385145 691093849 /nfs/dbraw/zinc/09/38/49/691093849.db2.gz ZQFVVKRUGSQHNC-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044605204 691856679 /nfs/dbraw/zinc/85/66/79/691856679.db2.gz NZVRTOISHWQQPO-CZUORRHYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046746318 692283349 /nfs/dbraw/zinc/28/33/49/692283349.db2.gz GWXKYCFLVRHSPG-SFHVURJKSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046746318 692283351 /nfs/dbraw/zinc/28/33/51/692283351.db2.gz GWXKYCFLVRHSPG-SFHVURJKSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC001049151272 692774867 /nfs/dbraw/zinc/77/48/67/692774867.db2.gz QPVQOHDQUDYHLI-CALCHBBNSA-N 2 2 322.412 2.062 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC001049151272 692774868 /nfs/dbraw/zinc/77/48/68/692774868.db2.gz QPVQOHDQUDYHLI-CALCHBBNSA-N 2 2 322.412 2.062 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049550893 692919878 /nfs/dbraw/zinc/91/98/78/692919878.db2.gz CJWNRXJSBPGYOV-IRXDYDNUSA-N 2 2 310.401 2.428 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049550893 692919882 /nfs/dbraw/zinc/91/98/82/692919882.db2.gz CJWNRXJSBPGYOV-IRXDYDNUSA-N 2 2 310.401 2.428 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758201 692989229 /nfs/dbraw/zinc/98/92/29/692989229.db2.gz HPHHCFJMGYTSRT-IXDOHACOSA-N 2 2 316.449 2.476 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758201 692989232 /nfs/dbraw/zinc/98/92/32/692989232.db2.gz HPHHCFJMGYTSRT-IXDOHACOSA-N 2 2 316.449 2.476 20 30 DEEDLP CSc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1C#N ZINC000925774465 693340133 /nfs/dbraw/zinc/34/01/33/693340133.db2.gz VLUZKDVNFATNLA-SWLSCSKDSA-N 2 2 305.447 2.137 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052498413 693550619 /nfs/dbraw/zinc/55/06/19/693550619.db2.gz HNEQJAGPTMKUBO-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052498413 693550622 /nfs/dbraw/zinc/55/06/22/693550622.db2.gz HNEQJAGPTMKUBO-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553341 693565627 /nfs/dbraw/zinc/56/56/27/693565627.db2.gz CYYLXHDTOZWTQV-OAHLLOKOSA-N 2 2 312.417 2.495 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553341 693565631 /nfs/dbraw/zinc/56/56/31/693565631.db2.gz CYYLXHDTOZWTQV-OAHLLOKOSA-N 2 2 312.417 2.495 20 30 DEEDLP Cn1c[nH+]cc1C1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001363333604 1153341562 /nfs/dbraw/zinc/34/15/62/1153341562.db2.gz RPKREJYGRLXCBB-SFHVURJKSA-N 2 2 310.401 2.205 20 30 DEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363784524 1153628269 /nfs/dbraw/zinc/62/82/69/1153628269.db2.gz AGFYGRLXPIWJFE-SJLPKXTDSA-N 2 2 324.428 2.280 20 30 DEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363784524 1153628274 /nfs/dbraw/zinc/62/82/74/1153628274.db2.gz AGFYGRLXPIWJFE-SJLPKXTDSA-N 2 2 324.428 2.280 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001403109699 1162727802 /nfs/dbraw/zinc/72/78/02/1162727802.db2.gz CVQMZVBYTHWKDC-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001403109699 1162727816 /nfs/dbraw/zinc/72/78/16/1162727816.db2.gz CVQMZVBYTHWKDC-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001403109699 1162727825 /nfs/dbraw/zinc/72/78/25/1162727825.db2.gz CVQMZVBYTHWKDC-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001403109699 1162727839 /nfs/dbraw/zinc/72/78/39/1162727839.db2.gz CVQMZVBYTHWKDC-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001391280983 1156308817 /nfs/dbraw/zinc/30/88/17/1156308817.db2.gz YPURHVQZHCNCES-HNNXBMFYSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001391280983 1156308821 /nfs/dbraw/zinc/30/88/21/1156308821.db2.gz YPURHVQZHCNCES-HNNXBMFYSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001391404951 1156385905 /nfs/dbraw/zinc/38/59/05/1156385905.db2.gz YVFXPXUXCYJLJX-HNNXBMFYSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001391404951 1156385914 /nfs/dbraw/zinc/38/59/14/1156385914.db2.gz YVFXPXUXCYJLJX-HNNXBMFYSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001392908903 1157533174 /nfs/dbraw/zinc/53/31/74/1157533174.db2.gz SHEARCYCGXCJAM-CYBMUJFWSA-N 2 2 324.856 2.388 20 30 DEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001376379699 1159373516 /nfs/dbraw/zinc/37/35/16/1159373516.db2.gz SQDKUOAOZOLJSU-YOWGUQMCSA-N 2 2 322.840 2.064 20 30 DEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001376379699 1159373527 /nfs/dbraw/zinc/37/35/27/1159373527.db2.gz SQDKUOAOZOLJSU-YOWGUQMCSA-N 2 2 322.840 2.064 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001398759995 1161093345 /nfs/dbraw/zinc/09/33/45/1161093345.db2.gz FUSICOOMOHXKOC-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001398759995 1161093352 /nfs/dbraw/zinc/09/33/52/1161093352.db2.gz FUSICOOMOHXKOC-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001418095889 1167407297 /nfs/dbraw/zinc/40/72/97/1167407297.db2.gz VVQUJQGATKEGNQ-ZNMIVQPWSA-N 2 2 324.856 2.460 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001420588098 1169814484 /nfs/dbraw/zinc/81/44/84/1169814484.db2.gz AJBKSZOXJGMWGL-GFCCVEGCSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001420588098 1169814485 /nfs/dbraw/zinc/81/44/85/1169814485.db2.gz AJBKSZOXJGMWGL-GFCCVEGCSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001421542561 1171840827 /nfs/dbraw/zinc/84/08/27/1171840827.db2.gz MTELONMJWQGFHN-LSDHHAIUSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001422050045 1172256171 /nfs/dbraw/zinc/25/61/71/1172256171.db2.gz KRTAIUNCFCCOHO-UHFFFAOYSA-N 2 2 310.829 2.066 20 30 DEEDLP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001422050045 1172256179 /nfs/dbraw/zinc/25/61/79/1172256179.db2.gz KRTAIUNCFCCOHO-UHFFFAOYSA-N 2 2 310.829 2.066 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001422519254 1172668988 /nfs/dbraw/zinc/66/89/88/1172668988.db2.gz NAYUGTATYVKSDW-CQSZACIVSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001422519254 1172668992 /nfs/dbraw/zinc/66/89/92/1172668992.db2.gz NAYUGTATYVKSDW-CQSZACIVSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001425063491 1174157365 /nfs/dbraw/zinc/15/73/65/1174157365.db2.gz FRXLHODEUMLRQU-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001425063491 1174157371 /nfs/dbraw/zinc/15/73/71/1174157371.db2.gz FRXLHODEUMLRQU-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001437600054 1179860176 /nfs/dbraw/zinc/86/01/76/1179860176.db2.gz ZWGUGHUQNFKGDY-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001437600054 1179860170 /nfs/dbraw/zinc/86/01/70/1179860170.db2.gz ZWGUGHUQNFKGDY-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001437600054 1179860173 /nfs/dbraw/zinc/86/01/73/1179860173.db2.gz ZWGUGHUQNFKGDY-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001437600054 1179860175 /nfs/dbraw/zinc/86/01/75/1179860175.db2.gz ZWGUGHUQNFKGDY-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001438940979 1180859119 /nfs/dbraw/zinc/85/91/19/1180859119.db2.gz QKCHODBTVKVWJC-UHFFFAOYSA-N 2 2 323.868 2.261 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001438940979 1180859122 /nfs/dbraw/zinc/85/91/22/1180859122.db2.gz QKCHODBTVKVWJC-UHFFFAOYSA-N 2 2 323.868 2.261 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001438940979 1180859124 /nfs/dbraw/zinc/85/91/24/1180859124.db2.gz QKCHODBTVKVWJC-UHFFFAOYSA-N 2 2 323.868 2.261 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001438940979 1180859133 /nfs/dbraw/zinc/85/91/33/1180859133.db2.gz QKCHODBTVKVWJC-UHFFFAOYSA-N 2 2 323.868 2.261 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001441139023 1181865498 /nfs/dbraw/zinc/86/54/98/1181865498.db2.gz QWILGWWXRJNTEP-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001441139023 1181865501 /nfs/dbraw/zinc/86/55/01/1181865501.db2.gz QWILGWWXRJNTEP-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001441139023 1181865509 /nfs/dbraw/zinc/86/55/09/1181865509.db2.gz QWILGWWXRJNTEP-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001441139023 1181865511 /nfs/dbraw/zinc/86/55/11/1181865511.db2.gz QWILGWWXRJNTEP-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001441219380 1181899804 /nfs/dbraw/zinc/89/98/04/1181899804.db2.gz YPSLPVXOOQZYKM-ZDUSSCGKSA-N 2 2 318.808 2.185 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@H]1C ZINC001444157242 1183303136 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20 30 DEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441775 783110406 /nfs/dbraw/zinc/11/04/06/783110406.db2.gz KYLWKCPGGXZEDF-HNNXBMFYSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449806 783140175 /nfs/dbraw/zinc/14/01/75/783140175.db2.gz KGOIHVFYEKMAQJ-ZFWWWQNUSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449806 783140177 /nfs/dbraw/zinc/14/01/77/783140177.db2.gz KGOIHVFYEKMAQJ-ZFWWWQNUSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738493 778055206 /nfs/dbraw/zinc/05/52/06/778055206.db2.gz XUNVFJDSAFHMSJ-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001088305594 779931066 /nfs/dbraw/zinc/93/10/66/779931066.db2.gz DKNXVEBIQPZHMQ-OAHLLOKOSA-N 2 2 304.438 2.279 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553108 783498604 /nfs/dbraw/zinc/49/86/04/783498604.db2.gz DUPVLGCSTLZAKM-OAHLLOKOSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553108 783498607 /nfs/dbraw/zinc/49/86/07/783498607.db2.gz DUPVLGCSTLZAKM-OAHLLOKOSA-N 2 2 310.401 2.123 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001085241841 783598097 /nfs/dbraw/zinc/59/80/97/783598097.db2.gz PYNYIQRKWMMYDQ-HUUCEWRRSA-N 2 2 304.438 2.130 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437624 788074133 /nfs/dbraw/zinc/07/41/33/788074133.db2.gz VXHUYNLBRWNFDO-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132437624 788074138 /nfs/dbraw/zinc/07/41/38/788074138.db2.gz VXHUYNLBRWNFDO-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132437624 788074151 /nfs/dbraw/zinc/07/41/51/788074151.db2.gz VXHUYNLBRWNFDO-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132437624 788074157 /nfs/dbraw/zinc/07/41/57/788074157.db2.gz VXHUYNLBRWNFDO-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919389 788227969 /nfs/dbraw/zinc/22/79/69/788227969.db2.gz JNSNJULCNRYNJO-HOCLYGCPSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968634 789150061 /nfs/dbraw/zinc/15/00/61/789150061.db2.gz FFRWESKEGKEADK-KBPBESRZSA-N 2 2 300.406 2.397 20 30 DEEDLP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071605646 789808763 /nfs/dbraw/zinc/80/87/63/789808763.db2.gz CDELSYJPNYTICM-JKSUJKDBSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071605646 789808769 /nfs/dbraw/zinc/80/87/69/789808769.db2.gz CDELSYJPNYTICM-JKSUJKDBSA-N 2 2 318.465 2.472 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707145 791345738 /nfs/dbraw/zinc/34/57/38/791345738.db2.gz NQIZYZKGSZOOBI-KGLIPLIRSA-N 2 2 312.845 2.289 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403630 793145065 /nfs/dbraw/zinc/14/50/65/793145065.db2.gz OCACWQJUBSOJOT-RKVPGOIHSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403630 793145069 /nfs/dbraw/zinc/14/50/69/793145069.db2.gz OCACWQJUBSOJOT-RKVPGOIHSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031110 793482605 /nfs/dbraw/zinc/48/26/05/793482605.db2.gz SECMHMGJELERPQ-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031110 793482612 /nfs/dbraw/zinc/48/26/12/793482612.db2.gz SECMHMGJELERPQ-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031110 793482616 /nfs/dbraw/zinc/48/26/16/793482616.db2.gz SECMHMGJELERPQ-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031110 793482619 /nfs/dbraw/zinc/48/26/19/793482619.db2.gz SECMHMGJELERPQ-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115750629 794907805 /nfs/dbraw/zinc/90/78/05/794907805.db2.gz ZEWMVTXXYLPKGL-UHFFFAOYSA-N 2 2 310.829 2.113 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179561686 795130591 /nfs/dbraw/zinc/13/05/91/795130591.db2.gz XSSKPNXWZJOXIG-CQSZACIVSA-N 2 2 304.438 2.282 20 30 DEEDLP CC1(C)CC[N@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120381693 795450580 /nfs/dbraw/zinc/45/05/80/795450580.db2.gz BLCOOSBNOQMMPK-UHFFFAOYSA-N 2 2 314.433 2.208 20 30 DEEDLP CC1(C)CC[N@@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120381693 795450585 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C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320028923 1140813341 /nfs/dbraw/zinc/81/33/41/1140813341.db2.gz HULQIZHDAKPKDG-UHFFFAOYSA-N 2 2 312.417 2.452 20 30 DEEDLP CC#CC[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001278616395 1142350772 /nfs/dbraw/zinc/35/07/72/1142350772.db2.gz ZRYHEKNNQZYRMC-UHFFFAOYSA-N 2 2 324.428 2.418 20 30 DEEDLP C=CC[C@@H]1N(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCC1(C)C ZINC001336940742 1142636841 /nfs/dbraw/zinc/63/68/41/1142636841.db2.gz GHBSDYPENYGMAK-INIZCTEOSA-N 2 2 322.497 2.186 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCOCC1 ZINC001278715475 1142863760 /nfs/dbraw/zinc/86/37/60/1142863760.db2.gz TZDZRCFJUKYWFJ-UHFFFAOYSA-N 2 2 317.433 2.061 20 30 DEEDLP CC[C@@H](CC#N)[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001255170225 1143462063 /nfs/dbraw/zinc/46/20/63/1143462063.db2.gz PKVYRRDUYVWRKD-INIZCTEOSA-N 2 2 315.465 2.419 20 30 DEEDLP CC[C@@H](CC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001255170225 1143462084 /nfs/dbraw/zinc/46/20/84/1143462084.db2.gz PKVYRRDUYVWRKD-INIZCTEOSA-N 2 2 315.465 2.419 20 30 DEEDLP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001341541399 1143624227 /nfs/dbraw/zinc/62/42/27/1143624227.db2.gz ZGMIKCFTKYOYKA-QGZVFWFLSA-N 2 2 312.417 2.231 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279005779 1143896426 /nfs/dbraw/zinc/89/64/26/1143896426.db2.gz DXKPUEOUBSVZCQ-CVEARBPZSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258020049 1143966997 /nfs/dbraw/zinc/96/69/97/1143966997.db2.gz MAQXRZRAUKDPLF-INIZCTEOSA-N 2 2 323.481 2.483 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258020049 1143967000 /nfs/dbraw/zinc/96/70/00/1143967000.db2.gz MAQXRZRAUKDPLF-INIZCTEOSA-N 2 2 323.481 2.483 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](CCC)CC2)C1 ZINC001258777919 1144041283 /nfs/dbraw/zinc/04/12/83/1144041283.db2.gz NJGMHQNDLGSDLN-OAHLLOKOSA-N 2 2 309.454 2.237 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](CCC)CC2)C1 ZINC001258777919 1144041287 /nfs/dbraw/zinc/04/12/87/1144041287.db2.gz NJGMHQNDLGSDLN-OAHLLOKOSA-N 2 2 309.454 2.237 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264435412 1144540184 /nfs/dbraw/zinc/54/01/84/1144540184.db2.gz ISEDLRLDPXACGA-KKUMJFAQSA-N 2 2 304.438 2.039 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264435412 1144540189 /nfs/dbraw/zinc/54/01/89/1144540189.db2.gz ISEDLRLDPXACGA-KKUMJFAQSA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265646691 1144721994 /nfs/dbraw/zinc/72/19/94/1144721994.db2.gz DXDAXIAVNYIWNS-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265646691 1144721997 /nfs/dbraw/zinc/72/19/97/1144721997.db2.gz DXDAXIAVNYIWNS-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265646691 1144722000 /nfs/dbraw/zinc/72/20/00/1144722000.db2.gz DXDAXIAVNYIWNS-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265646691 1144722002 /nfs/dbraw/zinc/72/20/02/1144722002.db2.gz DXDAXIAVNYIWNS-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265997286 1144780847 /nfs/dbraw/zinc/78/08/47/1144780847.db2.gz LZBZHQMUEGNWGM-DYVFJYSZSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001266223118 1144815976 /nfs/dbraw/zinc/81/59/76/1144815976.db2.gz JQLVRDFGRNORBJ-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001266223118 1144815978 /nfs/dbraw/zinc/81/59/78/1144815978.db2.gz JQLVRDFGRNORBJ-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001280394288 1144837739 /nfs/dbraw/zinc/83/77/39/1144837739.db2.gz HNMMZFCUAGLOMH-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281669797 1144904870 /nfs/dbraw/zinc/90/48/70/1144904870.db2.gz KCTGXJHZUUFIDM-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281669797 1144904875 /nfs/dbraw/zinc/90/48/75/1144904875.db2.gz KCTGXJHZUUFIDM-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281669801 1144905010 /nfs/dbraw/zinc/90/50/10/1144905010.db2.gz KCTGXJHZUUFIDM-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281669801 1144905011 /nfs/dbraw/zinc/90/50/11/1144905011.db2.gz KCTGXJHZUUFIDM-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282431093 1145066661 /nfs/dbraw/zinc/06/66/61/1145066661.db2.gz JPKYSTDTTOYRGL-CQSZACIVSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282431093 1145066666 /nfs/dbraw/zinc/06/66/66/1145066666.db2.gz JPKYSTDTTOYRGL-CQSZACIVSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001491882187 1146950401 /nfs/dbraw/zinc/95/04/01/1146950401.db2.gz LNESQIVVIBPWHX-JKSUJKDBSA-N 2 2 304.438 2.256 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491959115 1147020930 /nfs/dbraw/zinc/02/09/30/1147020930.db2.gz JFMDRULEARPMPM-HOTGVXAUSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491959115 1147020937 /nfs/dbraw/zinc/02/09/37/1147020937.db2.gz JFMDRULEARPMPM-HOTGVXAUSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001325531606 1147936469 /nfs/dbraw/zinc/93/64/69/1147936469.db2.gz NUKZFYJIVOAGAS-GOEBONIOSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001325600056 1147959283 /nfs/dbraw/zinc/95/92/83/1147959283.db2.gz XOLKXTCLIIGDLJ-DLBZAZTESA-N 2 2 318.465 2.314 20 30 DEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264109230 529694998 /nfs/dbraw/zinc/69/49/98/529694998.db2.gz ONNOIVDFCAUTQW-GXTWGEPZSA-N 2 2 322.453 2.009 20 30 DEEDLP Cc1cc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)ccc1C#N ZINC000595512123 358470455 /nfs/dbraw/zinc/47/04/55/358470455.db2.gz NIWYCLUGCCIMAN-UHFFFAOYSA-N 2 2 315.461 2.439 20 30 DEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000174257447 198310868 /nfs/dbraw/zinc/31/08/68/198310868.db2.gz VQSSWHARNDZHDI-UHFFFAOYSA-N 2 2 324.428 2.453 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960976 355396253 /nfs/dbraw/zinc/39/62/53/355396253.db2.gz UJLQRUZEQXKJSD-HNNXBMFYSA-N 2 2 323.400 2.490 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960976 355396255 /nfs/dbraw/zinc/39/62/55/355396255.db2.gz UJLQRUZEQXKJSD-HNNXBMFYSA-N 2 2 323.400 2.490 20 30 DEEDLP CNC(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)=[NH+]C ZINC000264086879 283273059 /nfs/dbraw/zinc/27/30/59/283273059.db2.gz JQWCIBWZVCSBQB-CYBMUJFWSA-N 2 2 312.820 2.411 20 30 DEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000593953679 358176739 /nfs/dbraw/zinc/17/67/39/358176739.db2.gz IBGYRZNUEGFNPY-UHFFFAOYSA-N 2 2 309.417 2.047 20 30 DEEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594500708 358284483 /nfs/dbraw/zinc/28/44/83/358284483.db2.gz SFLYSBSNJKIBHL-HKUYNNGSSA-N 2 2 311.429 2.388 20 30 DEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1(CO)CC1 ZINC000594969485 358371294 /nfs/dbraw/zinc/37/12/94/358371294.db2.gz PWAQLIXVZSURTR-HNNXBMFYSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668741724 540723125 /nfs/dbraw/zinc/72/31/25/540723125.db2.gz ZDEAHSAUZGYKFJ-SFHVURJKSA-N 2 2 316.445 2.282 20 30 DEEDLP C=CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668741724 540723126 /nfs/dbraw/zinc/72/31/26/540723126.db2.gz ZDEAHSAUZGYKFJ-SFHVURJKSA-N 2 2 316.445 2.282 20 30 DEEDLP C=C(CC)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631154254 368049905 /nfs/dbraw/zinc/04/99/05/368049905.db2.gz SUGBYQQCIDIVMG-UHFFFAOYSA-N 2 2 304.434 2.453 20 30 DEEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000684207445 542572517 /nfs/dbraw/zinc/57/25/17/542572517.db2.gz PRUVUMKTYIAYDN-FUHWJXTLSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000684207445 542572518 /nfs/dbraw/zinc/57/25/18/542572518.db2.gz PRUVUMKTYIAYDN-FUHWJXTLSA-N 2 2 303.450 2.474 20 30 DEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852938 285369622 /nfs/dbraw/zinc/36/96/22/285369622.db2.gz GGPJVMLRFCUDSY-HZPDHXFCSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852938 285369623 /nfs/dbraw/zinc/36/96/23/285369623.db2.gz GGPJVMLRFCUDSY-HZPDHXFCSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852938 285369624 /nfs/dbraw/zinc/36/96/24/285369624.db2.gz GGPJVMLRFCUDSY-HZPDHXFCSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000330852938 285369625 /nfs/dbraw/zinc/36/96/25/285369625.db2.gz GGPJVMLRFCUDSY-HZPDHXFCSA-N 2 2 320.481 2.134 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001369428838 1148977942 /nfs/dbraw/zinc/97/79/42/1148977942.db2.gz OZWWPRGKVSIZGF-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001369428838 1148977948 /nfs/dbraw/zinc/97/79/48/1148977948.db2.gz OZWWPRGKVSIZGF-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292523 148083960 /nfs/dbraw/zinc/08/39/60/148083960.db2.gz CLZKVRMLRPDYER-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000371292523 148083962 /nfs/dbraw/zinc/08/39/62/148083962.db2.gz CLZKVRMLRPDYER-NXHRZFHOSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1ccccc1Cl ZINC000073762770 401721235 /nfs/dbraw/zinc/72/12/35/401721235.db2.gz LEBJYPJZHWVPJJ-UHFFFAOYSA-N 2 2 305.813 2.244 20 30 DEEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243356 401702641 /nfs/dbraw/zinc/70/26/41/401702641.db2.gz RLCPEIZCYDCDAP-UHFFFAOYSA-N 2 2 309.373 2.030 20 30 DEEDLP C=CC[NH+](CC=C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175717890 402825999 /nfs/dbraw/zinc/82/59/99/402825999.db2.gz CAQZJHAKTVVTOA-KRWDZBQOSA-N 2 2 301.434 2.080 20 30 DEEDLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000270961106 403245472 /nfs/dbraw/zinc/24/54/72/403245472.db2.gz AVGKENACFVIBFW-JLSDUUJJSA-N 2 2 310.401 2.371 20 30 DEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000270961106 403245474 /nfs/dbraw/zinc/24/54/74/403245474.db2.gz AVGKENACFVIBFW-JLSDUUJJSA-N 2 2 310.401 2.371 20 30 DEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862834 403311066 /nfs/dbraw/zinc/31/10/66/403311066.db2.gz MLJVQBKWQKKFSI-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862834 403311072 /nfs/dbraw/zinc/31/10/72/403311072.db2.gz MLJVQBKWQKKFSI-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862834 403311077 /nfs/dbraw/zinc/31/10/77/403311077.db2.gz MLJVQBKWQKKFSI-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330862834 403311080 /nfs/dbraw/zinc/31/10/80/403311080.db2.gz MLJVQBKWQKKFSI-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332368877 403562640 /nfs/dbraw/zinc/56/26/40/403562640.db2.gz RZQYSGHWDMECDK-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332368877 403562643 /nfs/dbraw/zinc/56/26/43/403562643.db2.gz RZQYSGHWDMECDK-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC(C)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344121489 403923122 /nfs/dbraw/zinc/92/31/22/403923122.db2.gz HXTGXCDPWOPLHR-SFHVURJKSA-N 2 2 301.434 2.129 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C#N)cs1 ZINC000355207403 404283939 /nfs/dbraw/zinc/28/39/39/404283939.db2.gz DVQIPLRDUPQPMD-BMFZPTHFSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C#N)cs1 ZINC000355207403 404283946 /nfs/dbraw/zinc/28/39/46/404283946.db2.gz DVQIPLRDUPQPMD-BMFZPTHFSA-N 2 2 305.447 2.303 20 30 DEEDLP CCc1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)co1 ZINC000330013261 404526868 /nfs/dbraw/zinc/52/68/68/404526868.db2.gz LXKRMQOCAHBRSE-UHFFFAOYSA-N 2 2 320.437 2.100 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297880693 404649875 /nfs/dbraw/zinc/64/98/75/404649875.db2.gz VBMNBTBERGFVNQ-INIZCTEOSA-N 2 2 302.418 2.239 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230925 404776774 /nfs/dbraw/zinc/77/67/74/404776774.db2.gz CWKLPXXEEKBQMH-KVSKMBFKSA-N 2 2 314.429 2.212 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230925 404776777 /nfs/dbraw/zinc/77/67/77/404776777.db2.gz CWKLPXXEEKBQMH-KVSKMBFKSA-N 2 2 314.429 2.212 20 30 DEEDLP COCC[N@H+](C)CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838468 404839445 /nfs/dbraw/zinc/83/94/45/404839445.db2.gz UQDMLBZSAOSZHR-SFHVURJKSA-N 2 2 301.434 2.494 20 30 DEEDLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838468 404839449 /nfs/dbraw/zinc/83/94/49/404839449.db2.gz UQDMLBZSAOSZHR-SFHVURJKSA-N 2 2 301.434 2.494 20 30 DEEDLP Cc1ccc(CCC[NH+]2CCN(c3cc(C#N)ccn3)CC2)c[nH+]1 ZINC000353380972 404818607 /nfs/dbraw/zinc/81/86/07/404818607.db2.gz MOTCEKHUXCFKSZ-UHFFFAOYSA-N 2 2 321.428 2.412 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226920 404983144 /nfs/dbraw/zinc/98/31/44/404983144.db2.gz DFQCPNHLSDAQFU-MJGOQNOKSA-N 3 2 323.525 2.363 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226920 404983148 /nfs/dbraw/zinc/98/31/48/404983148.db2.gz DFQCPNHLSDAQFU-MJGOQNOKSA-N 3 2 323.525 2.363 20 30 DEEDLP N#CC1(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000580533022 405636575 /nfs/dbraw/zinc/63/65/75/405636575.db2.gz GXQQFFAWOPJSEH-UHFFFAOYSA-N 2 2 301.438 2.391 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423206021 405723099 /nfs/dbraw/zinc/72/30/99/405723099.db2.gz FOXNTEXQYYZCHK-SFHVURJKSA-N 3 2 312.461 2.112 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000491165886 406536476 /nfs/dbraw/zinc/53/64/76/406536476.db2.gz NYPCXCSTMZXBIH-GOSISDBHSA-N 2 2 312.392 2.250 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000491165886 406536477 /nfs/dbraw/zinc/53/64/77/406536477.db2.gz NYPCXCSTMZXBIH-GOSISDBHSA-N 2 2 312.392 2.250 20 30 DEEDLP Cc1cc(C)c(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331295588 226076028 /nfs/dbraw/zinc/07/60/28/226076028.db2.gz COLOEHLLDJCYPO-HIFRSBDPSA-N 2 2 320.437 2.442 20 30 DEEDLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000417983643 229172986 /nfs/dbraw/zinc/17/29/86/229172986.db2.gz OEHGEJFUNIMHOU-QGZVFWFLSA-N 2 2 323.400 2.060 20 30 DEEDLP C=CCNC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660851808 425257195 /nfs/dbraw/zinc/25/71/95/425257195.db2.gz AOWYIXOYWZIPRR-UHFFFAOYSA-N 2 2 312.417 2.120 20 30 DEEDLP C=CCC1(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000664539834 425405933 /nfs/dbraw/zinc/40/59/33/425405933.db2.gz RSRMCLCTORZZKM-UHFFFAOYSA-N 2 2 322.497 2.201 20 30 DEEDLP C=CC[C@@]1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[NH2+]1 ZINC000662694901 425714381 /nfs/dbraw/zinc/71/43/81/425714381.db2.gz CZCQVUOLKVNGFC-IBGZPJMESA-N 2 2 324.428 2.461 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nn1 ZINC000663344081 425830700 /nfs/dbraw/zinc/83/07/00/425830700.db2.gz NLFOHMDWRJYQLI-MRXNPFEDSA-N 2 2 303.454 2.066 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nn1 ZINC000663344081 425830702 /nfs/dbraw/zinc/83/07/02/425830702.db2.gz NLFOHMDWRJYQLI-MRXNPFEDSA-N 2 2 303.454 2.066 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378398619 1152317267 /nfs/dbraw/zinc/31/72/67/1152317267.db2.gz KMDDMLURMILOMS-MEDUHNTESA-N 2 2 324.856 2.215 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001400146148 1161666678 /nfs/dbraw/zinc/66/66/78/1161666678.db2.gz NBWVXYPBSVJFEC-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001400146148 1161666680 /nfs/dbraw/zinc/66/66/80/1161666680.db2.gz NBWVXYPBSVJFEC-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C#CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246578287 527150522 /nfs/dbraw/zinc/15/05/22/527150522.db2.gz YLLKBAFGPSVPLX-NVXWUHKLSA-N 2 2 303.475 2.248 20 30 DEEDLP C#CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246578287 527150528 /nfs/dbraw/zinc/15/05/28/527150528.db2.gz YLLKBAFGPSVPLX-NVXWUHKLSA-N 2 2 303.475 2.248 20 30 DEEDLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330705982 527982322 /nfs/dbraw/zinc/98/23/22/527982322.db2.gz OGQCQOULFNBRRE-OAHLLOKOSA-N 2 2 321.469 2.134 20 30 DEEDLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330705982 527982326 /nfs/dbraw/zinc/98/23/26/527982326.db2.gz OGQCQOULFNBRRE-OAHLLOKOSA-N 2 2 321.469 2.134 20 30 DEEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1C[C@H]1C ZINC000262858694 528818527 /nfs/dbraw/zinc/81/85/27/528818527.db2.gz YSQRFWIIGPACRH-IUODEOHRSA-N 2 2 312.421 2.039 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341661 528853181 /nfs/dbraw/zinc/85/31/81/528853181.db2.gz VMLODPCETXDQDL-SOLBZPMBSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341661 528853183 /nfs/dbraw/zinc/85/31/83/528853183.db2.gz VMLODPCETXDQDL-SOLBZPMBSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441341661 528853187 /nfs/dbraw/zinc/85/31/87/528853187.db2.gz VMLODPCETXDQDL-SOLBZPMBSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441341661 528853190 /nfs/dbraw/zinc/85/31/90/528853190.db2.gz VMLODPCETXDQDL-SOLBZPMBSA-N 2 2 322.497 2.236 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(=C)C ZINC001024486752 625811039 /nfs/dbraw/zinc/81/10/39/625811039.db2.gz HYILISSXHPHREC-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=C)C ZINC001024486752 625811044 /nfs/dbraw/zinc/81/10/44/625811044.db2.gz HYILISSXHPHREC-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(=C)C ZINC001024486752 625811048 /nfs/dbraw/zinc/81/10/48/625811048.db2.gz HYILISSXHPHREC-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(=C)C ZINC001024486752 625811054 /nfs/dbraw/zinc/81/10/54/625811054.db2.gz HYILISSXHPHREC-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000981432749 635477255 /nfs/dbraw/zinc/47/72/55/635477255.db2.gz CUNPDCSGDZRZSA-DLBZAZTESA-N 2 2 322.412 2.136 20 30 DEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001001501254 635513723 /nfs/dbraw/zinc/51/37/23/635513723.db2.gz RRJBXZTUGMXXPX-HZPDHXFCSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001001501254 635513725 /nfs/dbraw/zinc/51/37/25/635513725.db2.gz RRJBXZTUGMXXPX-HZPDHXFCSA-N 2 2 316.449 2.308 20 30 DEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000922155209 635905188 /nfs/dbraw/zinc/90/51/88/635905188.db2.gz WIEOGZNVEPNAKK-KRWDZBQOSA-N 2 2 301.434 2.112 20 30 DEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000922155209 635905193 /nfs/dbraw/zinc/90/51/93/635905193.db2.gz WIEOGZNVEPNAKK-KRWDZBQOSA-N 2 2 301.434 2.112 20 30 DEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598799 636302290 /nfs/dbraw/zinc/30/22/90/636302290.db2.gz LCFFLVIMVJHFEJ-NXHRZFHOSA-N 2 2 316.449 2.191 20 30 DEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598799 636302295 /nfs/dbraw/zinc/30/22/95/636302295.db2.gz LCFFLVIMVJHFEJ-NXHRZFHOSA-N 2 2 316.449 2.191 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627246 636504211 /nfs/dbraw/zinc/50/42/11/636504211.db2.gz XTQCCEFJXQFMGR-KRWDZBQOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627246 636504219 /nfs/dbraw/zinc/50/42/19/636504219.db2.gz XTQCCEFJXQFMGR-KRWDZBQOSA-N 2 2 316.449 2.162 20 30 DEEDLP C[N@H+](Cc1csc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459712 637053561 /nfs/dbraw/zinc/05/35/61/637053561.db2.gz MCLZEJGPTSFWHD-MRXNPFEDSA-N 2 2 318.490 2.220 20 30 DEEDLP C[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459712 637053566 /nfs/dbraw/zinc/05/35/66/637053566.db2.gz MCLZEJGPTSFWHD-MRXNPFEDSA-N 2 2 318.490 2.220 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000895163629 637703253 /nfs/dbraw/zinc/70/32/53/637703253.db2.gz WVKSLPJSTUFYJJ-HYVNUMGLSA-N 2 2 317.433 2.009 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000895163629 637703263 /nfs/dbraw/zinc/70/32/63/637703263.db2.gz WVKSLPJSTUFYJJ-HYVNUMGLSA-N 2 2 317.433 2.009 20 30 DEEDLP C#CC[N@H+](Cc1c(O)ccc2ccncc21)C1CC[NH+](C)CC1 ZINC000902538713 643059342 /nfs/dbraw/zinc/05/93/42/643059342.db2.gz VEJGHIYYXIRBSL-UHFFFAOYSA-N 2 2 309.413 2.470 20 30 DEEDLP C#CC[N@@H+](Cc1c(O)ccc2ccncc21)C1CC[NH+](C)CC1 ZINC000902538713 643059346 /nfs/dbraw/zinc/05/93/46/643059346.db2.gz VEJGHIYYXIRBSL-UHFFFAOYSA-N 2 2 309.413 2.470 20 30 DEEDLP CC(C)(C)[NH+]=C(NCCc1ccccc1)NCCn1cc[nH+]c1 ZINC000912506160 646089957 /nfs/dbraw/zinc/08/99/57/646089957.db2.gz JQHBHZJHDNHYIR-UHFFFAOYSA-N 2 2 313.449 2.460 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992446240 647012415 /nfs/dbraw/zinc/01/24/15/647012415.db2.gz MEMJMEIDCXPUID-WMZOPIPTSA-N 2 2 316.449 2.340 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992446240 647012417 /nfs/dbraw/zinc/01/24/17/647012417.db2.gz MEMJMEIDCXPUID-WMZOPIPTSA-N 2 2 316.449 2.340 20 30 DEEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000817982559 647399728 /nfs/dbraw/zinc/39/97/28/647399728.db2.gz FQACDHBROHMYCO-XJKSGUPXSA-N 2 2 310.825 2.457 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850471987 651935420 /nfs/dbraw/zinc/93/54/20/651935420.db2.gz VNOLQQCRHPOCGM-CYBMUJFWSA-N 2 2 305.378 2.209 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850471987 651935422 /nfs/dbraw/zinc/93/54/22/651935422.db2.gz VNOLQQCRHPOCGM-CYBMUJFWSA-N 2 2 305.378 2.209 20 30 DEEDLP C#CC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000858335429 652310687 /nfs/dbraw/zinc/31/06/87/652310687.db2.gz URJWDXILFAYLJA-LJQANCHMSA-N 2 2 311.429 2.151 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001372816843 1156801611 /nfs/dbraw/zinc/80/16/11/1156801611.db2.gz CZDLMGISQGFPES-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001372816843 1156801613 /nfs/dbraw/zinc/80/16/13/1156801613.db2.gz CZDLMGISQGFPES-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001372816843 1156801614 /nfs/dbraw/zinc/80/16/14/1156801614.db2.gz CZDLMGISQGFPES-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123712 693854969 /nfs/dbraw/zinc/85/49/69/693854969.db2.gz BBSIGVFLIPLBSF-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123712 693854973 /nfs/dbraw/zinc/85/49/73/693854973.db2.gz BBSIGVFLIPLBSF-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219101 693888376 /nfs/dbraw/zinc/88/83/76/693888376.db2.gz GVILAAZAITWTSW-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219101 693888379 /nfs/dbraw/zinc/88/83/79/693888379.db2.gz GVILAAZAITWTSW-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001054794433 694045654 /nfs/dbraw/zinc/04/56/54/694045654.db2.gz OGXBNEMARXYXLH-BXUZGUMPSA-N 2 2 324.856 2.116 20 30 DEEDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C#N)c1O ZINC000866261924 687513589 /nfs/dbraw/zinc/51/35/89/687513589.db2.gz AUIGFABKCUDJCM-HOCLYGCPSA-N 2 2 317.433 2.151 20 30 DEEDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1O ZINC000866261924 687513593 /nfs/dbraw/zinc/51/35/93/687513593.db2.gz AUIGFABKCUDJCM-HOCLYGCPSA-N 2 2 317.433 2.151 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001016683418 687681534 /nfs/dbraw/zinc/68/15/34/687681534.db2.gz USDWLMZAUUVMND-OAHLLOKOSA-N 2 2 316.449 2.083 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001016683412 687681603 /nfs/dbraw/zinc/68/16/03/687681603.db2.gz USDWLMZAUUVMND-HNNXBMFYSA-N 2 2 316.449 2.083 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391139 689832090 /nfs/dbraw/zinc/83/20/90/689832090.db2.gz IXOIQEIRHHJGAI-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391139 689832092 /nfs/dbraw/zinc/83/20/92/689832092.db2.gz IXOIQEIRHHJGAI-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470112 689862401 /nfs/dbraw/zinc/86/24/01/689862401.db2.gz NQRDVCBRUHWJEW-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470112 689862405 /nfs/dbraw/zinc/86/24/05/689862405.db2.gz NQRDVCBRUHWJEW-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035749012 690166934 /nfs/dbraw/zinc/16/69/34/690166934.db2.gz KKLMVNVDYUOKHA-UHFFFAOYSA-N 2 2 324.428 2.448 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716450 690443638 /nfs/dbraw/zinc/44/36/38/690443638.db2.gz GEDYBHNGQMHDSL-SJORKVTESA-N 2 2 324.428 2.365 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716450 690443640 /nfs/dbraw/zinc/44/36/40/690443640.db2.gz GEDYBHNGQMHDSL-SJORKVTESA-N 2 2 324.428 2.365 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001037860688 690626070 /nfs/dbraw/zinc/62/60/70/690626070.db2.gz DOMLIYFYTQGBCQ-GOEBONIOSA-N 2 2 317.433 2.035 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC ZINC001037895995 690635545 /nfs/dbraw/zinc/63/55/45/690635545.db2.gz GVIFVDOPBXVRKK-HUUCEWRRSA-N 2 2 324.856 2.242 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208865 691055092 /nfs/dbraw/zinc/05/50/92/691055092.db2.gz GFZPNMPTNTVOHQ-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208865 691055093 /nfs/dbraw/zinc/05/50/93/691055093.db2.gz GFZPNMPTNTVOHQ-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208865 691055096 /nfs/dbraw/zinc/05/50/96/691055096.db2.gz GFZPNMPTNTVOHQ-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208865 691055097 /nfs/dbraw/zinc/05/50/97/691055097.db2.gz GFZPNMPTNTVOHQ-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001040721891 691282553 /nfs/dbraw/zinc/28/25/53/691282553.db2.gz DJWCIBZKBIWWDF-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001040721891 691282555 /nfs/dbraw/zinc/28/25/55/691282555.db2.gz DJWCIBZKBIWWDF-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041786990 691431102 /nfs/dbraw/zinc/43/11/02/691431102.db2.gz LAJGAQYOFYGMSC-SFHVURJKSA-N 2 2 316.449 2.188 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041786990 691431104 /nfs/dbraw/zinc/43/11/04/691431104.db2.gz LAJGAQYOFYGMSC-SFHVURJKSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553627 691995947 /nfs/dbraw/zinc/99/59/47/691995947.db2.gz ZBJDSOVANXBPAD-AWEZNQCLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314731 692148990 /nfs/dbraw/zinc/14/89/90/692148990.db2.gz NUBDDBHLTNYCQQ-SFHVURJKSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314731 692148994 /nfs/dbraw/zinc/14/89/94/692148994.db2.gz NUBDDBHLTNYCQQ-SFHVURJKSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728176 692978024 /nfs/dbraw/zinc/97/80/24/692978024.db2.gz NPGDLTCTXNDTOQ-ZNMIVQPWSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728176 692978029 /nfs/dbraw/zinc/97/80/29/692978029.db2.gz NPGDLTCTXNDTOQ-ZNMIVQPWSA-N 2 2 313.873 2.144 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052488969 693547341 /nfs/dbraw/zinc/54/73/41/693547341.db2.gz LLZAHCWWDFFZQX-MRXNPFEDSA-N 2 2 317.433 2.180 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052488969 693547343 /nfs/dbraw/zinc/54/73/43/693547343.db2.gz LLZAHCWWDFFZQX-MRXNPFEDSA-N 2 2 317.433 2.180 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112512 693692450 /nfs/dbraw/zinc/69/24/50/693692450.db2.gz NOHHSXXRECKODP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112512 693692451 /nfs/dbraw/zinc/69/24/51/693692451.db2.gz NOHHSXXRECKODP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001332450808 1149861065 /nfs/dbraw/zinc/86/10/65/1149861065.db2.gz BAHOENAKYBEILR-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001390657535 1155829440 /nfs/dbraw/zinc/82/94/40/1155829440.db2.gz ICHCVWCARTYSLK-GFCCVEGCSA-N 2 2 320.824 2.493 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001372816843 1156801609 /nfs/dbraw/zinc/80/16/09/1156801609.db2.gz CZDLMGISQGFPES-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373641495 1157197860 /nfs/dbraw/zinc/19/78/60/1157197860.db2.gz VGZVYGBEJSUONZ-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373641495 1157197875 /nfs/dbraw/zinc/19/78/75/1157197875.db2.gz VGZVYGBEJSUONZ-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001375158936 1158360276 /nfs/dbraw/zinc/36/02/76/1158360276.db2.gz NDZMOJNHONBPBU-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001375158936 1158360269 /nfs/dbraw/zinc/36/02/69/1158360269.db2.gz NDZMOJNHONBPBU-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001400146148 1161666675 /nfs/dbraw/zinc/66/66/75/1161666675.db2.gz NBWVXYPBSVJFEC-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001400146148 1161666677 /nfs/dbraw/zinc/66/66/77/1161666677.db2.gz NBWVXYPBSVJFEC-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001403926323 1163299520 /nfs/dbraw/zinc/29/95/20/1163299520.db2.gz STPXBECHWTVFNM-CABCVRRESA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001403926323 1163299532 /nfs/dbraw/zinc/29/95/32/1163299532.db2.gz STPXBECHWTVFNM-CABCVRRESA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437309047 1179708918 /nfs/dbraw/zinc/70/89/18/1179708918.db2.gz HWPBDYCLDYGMJU-KBPBESRZSA-N 2 2 310.829 2.025 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001439349470 1181036955 /nfs/dbraw/zinc/03/69/55/1181036955.db2.gz KJFBAJGISLLGAG-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001439349470 1181036957 /nfs/dbraw/zinc/03/69/57/1181036957.db2.gz KJFBAJGISLLGAG-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001439349470 1181036963 /nfs/dbraw/zinc/03/69/63/1181036963.db2.gz KJFBAJGISLLGAG-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001439349470 1181036968 /nfs/dbraw/zinc/03/69/68/1181036968.db2.gz KJFBAJGISLLGAG-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441587206 1182075056 /nfs/dbraw/zinc/07/50/56/1182075056.db2.gz KEPLTRUJMVTLIN-MGPQQGTHSA-N 2 2 322.840 2.094 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001441587206 1182075064 /nfs/dbraw/zinc/07/50/64/1182075064.db2.gz KEPLTRUJMVTLIN-MGPQQGTHSA-N 2 2 322.840 2.094 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001445088329 1183766201 /nfs/dbraw/zinc/76/62/01/1183766201.db2.gz UEXOTOLEXSJFHN-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001445088329 1183766204 /nfs/dbraw/zinc/76/62/04/1183766204.db2.gz UEXOTOLEXSJFHN-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001406105924 1164448788 /nfs/dbraw/zinc/44/87/88/1164448788.db2.gz GNBDPRHXEDCHOD-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001406105924 1164448792 /nfs/dbraw/zinc/44/87/92/1164448792.db2.gz GNBDPRHXEDCHOD-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001406105924 1164448797 /nfs/dbraw/zinc/44/87/97/1164448797.db2.gz GNBDPRHXEDCHOD-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001406105924 1164448800 /nfs/dbraw/zinc/44/88/00/1164448800.db2.gz GNBDPRHXEDCHOD-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072847574 790271731 /nfs/dbraw/zinc/27/17/31/790271731.db2.gz PMYLKVNQRQMXFL-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072847574 790271735 /nfs/dbraw/zinc/27/17/35/790271735.db2.gz PMYLKVNQRQMXFL-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001332341071 1149851376 /nfs/dbraw/zinc/85/13/76/1149851376.db2.gz NTGCGVIZBORAPX-CVEARBPZSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001332861394 1149905354 /nfs/dbraw/zinc/90/53/54/1149905354.db2.gz RKMJBFXTNOVWJU-IIAWOOMASA-N 2 2 318.465 2.220 20 30 DEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001333005510 1149956014 /nfs/dbraw/zinc/95/60/14/1149956014.db2.gz UYPLOXCFWUFESW-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001333005510 1149956018 /nfs/dbraw/zinc/95/60/18/1149956018.db2.gz UYPLOXCFWUFESW-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168474693 782602407 /nfs/dbraw/zinc/60/24/07/782602407.db2.gz IPYLWHCZHSTAOS-UHFFFAOYSA-N 2 2 304.438 2.116 20 30 DEEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1C[NH3+] ZINC001205141276 782814702 /nfs/dbraw/zinc/81/47/02/782814702.db2.gz ZXHYOLANBNKYTC-GXFFZTMASA-N 2 2 308.223 2.347 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1C[NH3+] ZINC001205141276 782814707 /nfs/dbraw/zinc/81/47/07/782814707.db2.gz ZXHYOLANBNKYTC-GXFFZTMASA-N 2 2 308.223 2.347 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106712677 782875766 /nfs/dbraw/zinc/87/57/66/782875766.db2.gz HNFXQJRQKXKELN-BPLDGKMQSA-N 2 2 324.856 2.271 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106749885 782915498 /nfs/dbraw/zinc/91/54/98/782915498.db2.gz KBNKBXYBMXWIOU-OUCADQQQSA-N 2 2 324.856 2.025 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106749885 782915501 /nfs/dbraw/zinc/91/55/01/782915501.db2.gz KBNKBXYBMXWIOU-OUCADQQQSA-N 2 2 324.856 2.025 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947436590 783135670 /nfs/dbraw/zinc/13/56/70/783135670.db2.gz KPTCSBUIYVRZCW-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947436590 783135677 /nfs/dbraw/zinc/13/56/77/783135677.db2.gz KPTCSBUIYVRZCW-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442803 783138624 /nfs/dbraw/zinc/13/86/24/783138624.db2.gz ZGSGIRJAWJEIDM-GJZGRUSLSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442803 783138626 /nfs/dbraw/zinc/13/86/26/783138626.db2.gz ZGSGIRJAWJEIDM-GJZGRUSLSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528858 777290423 /nfs/dbraw/zinc/29/04/23/777290423.db2.gz OLCHGPWGUVZMGC-AWEZNQCLSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101836 778342489 /nfs/dbraw/zinc/34/24/89/778342489.db2.gz IZIUWVAOMQQYHO-IXDOHACOSA-N 2 2 318.465 2.312 20 30 DEEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001088336145 779986274 /nfs/dbraw/zinc/98/62/74/779986274.db2.gz WGOLKFRWKXFKKD-HNNXBMFYSA-N 2 2 310.401 2.171 20 30 DEEDLP C=C(C)CC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363549 781039424 /nfs/dbraw/zinc/03/94/24/781039424.db2.gz JFKZMUXEVHETCM-UHFFFAOYSA-N 2 2 314.433 2.247 20 30 DEEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859722 784622916 /nfs/dbraw/zinc/62/29/16/784622916.db2.gz PZEZPVIBPIEVJW-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859722 784622925 /nfs/dbraw/zinc/62/29/25/784622925.db2.gz PZEZPVIBPIEVJW-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109431283 785872798 /nfs/dbraw/zinc/87/27/98/785872798.db2.gz HEMBZGMEUAIEOG-LTIDMASMSA-N 2 2 316.449 2.378 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109431283 785872803 /nfs/dbraw/zinc/87/28/03/785872803.db2.gz HEMBZGMEUAIEOG-LTIDMASMSA-N 2 2 316.449 2.378 20 30 DEEDLP CCCCCCC[NH+]1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001113136647 786415368 /nfs/dbraw/zinc/41/53/68/786415368.db2.gz FCIASZWPXIHPFZ-UHFFFAOYSA-N 2 2 320.481 2.467 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014425560 786579680 /nfs/dbraw/zinc/57/96/80/786579680.db2.gz QCWNNQISLLWAGG-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001014425560 786579684 /nfs/dbraw/zinc/57/96/84/786579684.db2.gz QCWNNQISLLWAGG-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437623 788073645 /nfs/dbraw/zinc/07/36/45/788073645.db2.gz VXHUYNLBRWNFDO-CABCVRRESA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132437623 788073653 /nfs/dbraw/zinc/07/36/53/788073653.db2.gz VXHUYNLBRWNFDO-CABCVRRESA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132437623 788073657 /nfs/dbraw/zinc/07/36/57/788073657.db2.gz VXHUYNLBRWNFDO-CABCVRRESA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132437623 788073664 /nfs/dbraw/zinc/07/36/64/788073664.db2.gz VXHUYNLBRWNFDO-CABCVRRESA-N 2 2 315.889 2.440 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132547158 788120614 /nfs/dbraw/zinc/12/06/14/788120614.db2.gz XVWZYTGTXCQSTJ-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132547158 788120616 /nfs/dbraw/zinc/12/06/16/788120616.db2.gz XVWZYTGTXCQSTJ-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158856895 788402551 /nfs/dbraw/zinc/40/25/51/788402551.db2.gz QFZMZIVHFYEINV-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158856895 788402558 /nfs/dbraw/zinc/40/25/58/788402558.db2.gz QFZMZIVHFYEINV-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001147455433 791551248 /nfs/dbraw/zinc/55/12/48/791551248.db2.gz JPZPVXBBNLJIRS-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001147455433 791551254 /nfs/dbraw/zinc/55/12/54/791551254.db2.gz JPZPVXBBNLJIRS-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682612 791594933 /nfs/dbraw/zinc/59/49/33/791594933.db2.gz SHOFNXPMMOXFDE-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682612 791594937 /nfs/dbraw/zinc/59/49/37/791594937.db2.gz SHOFNXPMMOXFDE-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682612 791594940 /nfs/dbraw/zinc/59/49/40/791594940.db2.gz SHOFNXPMMOXFDE-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682612 791594942 /nfs/dbraw/zinc/59/49/42/791594942.db2.gz SHOFNXPMMOXFDE-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959420 791865077 /nfs/dbraw/zinc/86/50/77/791865077.db2.gz DBTKJKNTWQHGAZ-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092696122 792115058 /nfs/dbraw/zinc/11/50/58/792115058.db2.gz OCLWGOVAZJVLLX-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092696122 792115068 /nfs/dbraw/zinc/11/50/68/792115068.db2.gz OCLWGOVAZJVLLX-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092696122 792115075 /nfs/dbraw/zinc/11/50/75/792115075.db2.gz OCLWGOVAZJVLLX-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092696122 792115084 /nfs/dbraw/zinc/11/50/84/792115084.db2.gz OCLWGOVAZJVLLX-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391426 792624875 /nfs/dbraw/zinc/62/48/75/792624875.db2.gz LBOPPZDHLMTPPP-HLIUYOAVSA-N 2 2 304.438 2.181 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391426 792624881 /nfs/dbraw/zinc/62/48/81/792624881.db2.gz LBOPPZDHLMTPPP-HLIUYOAVSA-N 2 2 304.438 2.181 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517332 794130658 /nfs/dbraw/zinc/13/06/58/794130658.db2.gz JKFSVGQVJSIEDG-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517332 794130662 /nfs/dbraw/zinc/13/06/62/794130662.db2.gz JKFSVGQVJSIEDG-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517332 794130665 /nfs/dbraw/zinc/13/06/65/794130665.db2.gz JKFSVGQVJSIEDG-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517332 794130671 /nfs/dbraw/zinc/13/06/71/794130671.db2.gz JKFSVGQVJSIEDG-BZUAXINKSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811681 795003127 /nfs/dbraw/zinc/00/31/27/795003127.db2.gz YKYOAXGZGPGUCC-UHFFFAOYSA-N 2 2 319.449 2.475 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179625890 795150378 /nfs/dbraw/zinc/15/03/78/795150378.db2.gz OGJMPPCZGCEIJD-HZPDHXFCSA-N 2 2 318.465 2.366 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181781378 795538747 /nfs/dbraw/zinc/53/87/47/795538747.db2.gz OWDLDVGFABCUKU-ATNYBXOESA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181781378 795538753 /nfs/dbraw/zinc/53/87/53/795538753.db2.gz OWDLDVGFABCUKU-ATNYBXOESA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121895956 795700700 /nfs/dbraw/zinc/70/07/00/795700700.db2.gz KCHDIXUTUHDBDC-ZGJUNIKESA-N 2 2 316.449 2.181 20 30 DEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121895956 795700703 /nfs/dbraw/zinc/70/07/03/795700703.db2.gz KCHDIXUTUHDBDC-ZGJUNIKESA-N 2 2 316.449 2.181 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121953979 795709336 /nfs/dbraw/zinc/70/93/36/795709336.db2.gz LYZFBNZMOSJMES-OQDWRCPYSA-N 2 2 316.449 2.324 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184274093 796019585 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C#CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001138346428 796201741 /nfs/dbraw/zinc/20/17/41/796201741.db2.gz DEITVVIHZXBLFR-LJQANCHMSA-N 2 2 314.429 2.235 20 30 DEEDLP C#CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001138346428 796201743 /nfs/dbraw/zinc/20/17/43/796201743.db2.gz DEITVVIHZXBLFR-LJQANCHMSA-N 2 2 314.429 2.235 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572114 796285040 /nfs/dbraw/zinc/28/50/40/796285040.db2.gz HDGYLVBRGLPOAK-ZBFHGGJFSA-N 2 2 318.465 2.301 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788824 796315129 /nfs/dbraw/zinc/31/51/29/796315129.db2.gz QDOLEYOUQUDJAV-SJORKVTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512709 796991673 /nfs/dbraw/zinc/99/16/73/796991673.db2.gz PMJXEHDZZSDRSX-UHFFFAOYSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546429 797024315 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306.454 2.455 20 30 DEEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930554 797425794 /nfs/dbraw/zinc/42/57/94/797425794.db2.gz POOCDYOBFUNTFJ-IAGOWNOFSA-N 2 2 318.465 2.320 20 30 DEEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930554 797425798 /nfs/dbraw/zinc/42/57/98/797425798.db2.gz POOCDYOBFUNTFJ-IAGOWNOFSA-N 2 2 318.465 2.320 20 30 DEEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930632 797425828 /nfs/dbraw/zinc/42/58/28/797425828.db2.gz URFCFWDXBVKUMS-SJORKVTESA-N 2 2 318.465 2.320 20 30 DEEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930632 797425831 /nfs/dbraw/zinc/42/58/31/797425831.db2.gz URFCFWDXBVKUMS-SJORKVTESA-N 2 2 318.465 2.320 20 30 DEEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404315 797528460 /nfs/dbraw/zinc/52/84/60/797528460.db2.gz ZSFMSIAOLFJTDJ-OAHLLOKOSA-N 2 2 301.434 2.470 20 30 DEEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404315 797528465 /nfs/dbraw/zinc/52/84/65/797528465.db2.gz ZSFMSIAOLFJTDJ-OAHLLOKOSA-N 2 2 301.434 2.470 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195652675 797939767 /nfs/dbraw/zinc/93/97/67/797939767.db2.gz SZKAPUYQVVKHPA-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195652675 797939769 /nfs/dbraw/zinc/93/97/69/797939769.db2.gz SZKAPUYQVVKHPA-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153707 798151297 /nfs/dbraw/zinc/15/12/97/798151297.db2.gz OYQHNNZGPJMSDB-NVXWUHKLSA-N 2 2 318.465 2.087 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153707 798151301 /nfs/dbraw/zinc/15/13/01/798151301.db2.gz OYQHNNZGPJMSDB-NVXWUHKLSA-N 2 2 318.465 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881084 798296972 /nfs/dbraw/zinc/29/69/72/798296972.db2.gz SVHPXIUSSHHSDV-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881084 798296977 /nfs/dbraw/zinc/29/69/77/798296977.db2.gz SVHPXIUSSHHSDV-OAHLLOKOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806639 798471800 /nfs/dbraw/zinc/47/18/00/798471800.db2.gz MKCXCDWIZPZJJZ-QGZVFWFLSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806639 798471802 /nfs/dbraw/zinc/47/18/02/798471802.db2.gz MKCXCDWIZPZJJZ-QGZVFWFLSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749144 798735560 /nfs/dbraw/zinc/73/55/60/798735560.db2.gz WCGYOLZHEVYKMY-UHFFFAOYSA-N 2 2 316.449 2.067 20 30 DEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749144 798735563 /nfs/dbraw/zinc/73/55/63/798735563.db2.gz WCGYOLZHEVYKMY-UHFFFAOYSA-N 2 2 316.449 2.067 20 30 DEEDLP Cc1[nH+]c2c(n1-c1cc(C#C[Si](C)(C)C)ccn1)CC[NH2+]CC2 ZINC001165355172 799713522 /nfs/dbraw/zinc/71/35/22/799713522.db2.gz BOLCHZCJEFXMKT-UHFFFAOYSA-N 2 2 324.504 2.493 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383582 799716943 /nfs/dbraw/zinc/71/69/43/799716943.db2.gz OARCWNFKHRAAGW-UHFFFAOYSA-N 2 2 304.438 2.185 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383582 799716946 /nfs/dbraw/zinc/71/69/46/799716946.db2.gz OARCWNFKHRAAGW-UHFFFAOYSA-N 2 2 304.438 2.185 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337389 800038410 /nfs/dbraw/zinc/03/84/10/800038410.db2.gz HHDATWMIYTUDDJ-UHFFFAOYSA-N 2 2 304.438 2.234 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(C)n2)CC1 ZINC001204070285 800167591 /nfs/dbraw/zinc/16/75/91/800167591.db2.gz GNVZLLVWYBOEPG-UHFFFAOYSA-N 2 2 314.477 2.182 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411410 800978343 /nfs/dbraw/zinc/97/83/43/800978343.db2.gz SXNYDXGLYCWPOV-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208806038 801072681 /nfs/dbraw/zinc/07/26/81/801072681.db2.gz HMLRFNRJGOLJRC-KRWDZBQOSA-N 2 2 322.412 2.090 20 30 DEEDLP Cc1cc(N2CC[NH+](CCc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC001208926384 801094342 /nfs/dbraw/zinc/09/43/42/801094342.db2.gz QSGOTPCWGCTNBJ-UHFFFAOYSA-N 2 2 321.428 2.330 20 30 DEEDLP Cc1[nH+]cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1N ZINC001210287731 801370033 /nfs/dbraw/zinc/37/00/33/801370033.db2.gz BVOYAQLAMPJAKJ-UHFFFAOYSA-N 2 2 322.416 2.339 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451620 801569067 /nfs/dbraw/zinc/56/90/67/801569067.db2.gz COFIDORECCAPHQ-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451620 801569074 /nfs/dbraw/zinc/56/90/74/801569074.db2.gz COFIDORECCAPHQ-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215254651 801826164 /nfs/dbraw/zinc/82/61/64/801826164.db2.gz AVGNXGYRGSCBFJ-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511404 801870337 /nfs/dbraw/zinc/87/03/37/801870337.db2.gz KXCOMTYKKIFARX-IIAWOOMASA-N 2 2 316.449 2.232 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228534780 803371380 /nfs/dbraw/zinc/37/13/80/803371380.db2.gz LIBZVKBHWBPDQP-OAHLLOKOSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228534778 803371617 /nfs/dbraw/zinc/37/16/17/803371617.db2.gz LIBZVKBHWBPDQP-HNNXBMFYSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001228669523 803389978 /nfs/dbraw/zinc/38/99/78/803389978.db2.gz QXTKAEKLRBTYOZ-KLHDSHLOSA-N 2 2 316.449 2.117 20 30 DEEDLP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001331030063 1149363449 /nfs/dbraw/zinc/36/34/49/1149363449.db2.gz KKQGAPYLFRAIFP-HZPDHXFCSA-N 2 2 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C=CC[NH2+]CC1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001505510116 1060668718 /nfs/dbraw/zinc/66/87/18/1060668718.db2.gz DGCMKMCIODWQFP-UHFFFAOYSA-N 2 2 310.401 2.156 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001505937463 1061152811 /nfs/dbraw/zinc/15/28/11/1061152811.db2.gz FHCDMTJIPIUTOH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001505937463 1061152835 /nfs/dbraw/zinc/15/28/35/1061152835.db2.gz FHCDMTJIPIUTOH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001505937463 1061152844 /nfs/dbraw/zinc/15/28/44/1061152844.db2.gz FHCDMTJIPIUTOH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001505937463 1061152823 /nfs/dbraw/zinc/15/28/23/1061152823.db2.gz FHCDMTJIPIUTOH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479524762 1061492676 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GSJLJRIOXITBJO-YOEHRIQHSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278432663 1140865052 /nfs/dbraw/zinc/86/50/52/1140865052.db2.gz GSJLJRIOXITBJO-YOEHRIQHSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278432663 1140865053 /nfs/dbraw/zinc/86/50/53/1140865053.db2.gz GSJLJRIOXITBJO-YOEHRIQHSA-N 2 2 304.438 2.135 20 30 DEEDLP COc1cc(N([C@@H]2CC[C@@H](C#N)C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001254676938 1143310472 /nfs/dbraw/zinc/31/04/72/1143310472.db2.gz OXWILGZMGYBHFZ-UKRRQHHQSA-N 2 2 300.406 2.341 20 30 DEEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH+](C)CC1)CCO2 ZINC001256208052 1143836274 /nfs/dbraw/zinc/83/62/74/1143836274.db2.gz VKSJGTCWHIPSKM-SJLPKXTDSA-N 2 2 308.466 2.154 20 30 DEEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](C)CC1)CCO2 ZINC001256208052 1143836275 /nfs/dbraw/zinc/83/62/75/1143836275.db2.gz VKSJGTCWHIPSKM-SJLPKXTDSA-N 2 2 308.466 2.154 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258728662 1144036405 /nfs/dbraw/zinc/03/64/05/1144036405.db2.gz PNOMXHDWAFPIEW-CQSZACIVSA-N 2 2 300.410 2.083 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258728662 1144036408 /nfs/dbraw/zinc/03/64/08/1144036408.db2.gz PNOMXHDWAFPIEW-CQSZACIVSA-N 2 2 300.410 2.083 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265613247 1144718146 /nfs/dbraw/zinc/71/81/46/1144718146.db2.gz KXLUMQPQTQJXLN-CQSZACIVSA-N 2 2 310.401 2.028 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001265636993 1144720223 /nfs/dbraw/zinc/72/02/23/1144720223.db2.gz QSVKONXKAGCOJX-KRWDZBQOSA-N 2 2 318.465 2.458 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001280487932 1144842167 /nfs/dbraw/zinc/84/21/67/1144842167.db2.gz KXWZMZOKIVHBIK-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283503385 1145482045 /nfs/dbraw/zinc/48/20/45/1145482045.db2.gz QVXSIDFXDAUEJY-QGZVFWFLSA-N 2 2 324.428 2.106 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001284095752 1145796515 /nfs/dbraw/zinc/79/65/15/1145796515.db2.gz JGJOKPMHQZNKIP-USXIJHARSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)CC[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001313445923 1147565714 /nfs/dbraw/zinc/56/57/14/1147565714.db2.gz SDEFPJIQQWVFGJ-UHFFFAOYSA-N 2 2 304.438 2.037 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001367182711 1147661388 /nfs/dbraw/zinc/66/13/88/1147661388.db2.gz HRRJZMUKHKAXQJ-LRDDRELGSA-N 2 2 324.856 2.359 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317164461 1147668784 /nfs/dbraw/zinc/66/87/84/1147668784.db2.gz XOROSCHAWTXEEK-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317373967 1147698617 /nfs/dbraw/zinc/69/86/17/1147698617.db2.gz AMNIEYHQLXWORT-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317373967 1147698618 /nfs/dbraw/zinc/69/86/18/1147698618.db2.gz AMNIEYHQLXWORT-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324798835 1147846236 /nfs/dbraw/zinc/84/62/36/1147846236.db2.gz PUVYKRVVASQNFI-DOTOQJQBSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324978419 1147863712 /nfs/dbraw/zinc/86/37/12/1147863712.db2.gz UCOIOFICFVILEY-KRWDZBQOSA-N 2 2 304.438 2.055 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324978419 1147863717 /nfs/dbraw/zinc/86/37/17/1147863717.db2.gz UCOIOFICFVILEY-KRWDZBQOSA-N 2 2 304.438 2.055 20 30 DEEDLP CN(C)c1cccc(Cl)c1C=[NH+]NCCC[NH+]1CCOCC1 ZINC001325156381 1147881273 /nfs/dbraw/zinc/88/12/73/1147881273.db2.gz DORXKFOLVUPPRG-UHFFFAOYSA-N 2 2 324.856 2.052 20 30 DEEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001325421018 1147905271 /nfs/dbraw/zinc/90/52/71/1147905271.db2.gz YYYPAZQXMABIOU-KGLIPLIRSA-N 2 2 310.401 2.026 20 30 DEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C#N)n1 ZINC001326066821 1148036360 /nfs/dbraw/zinc/03/63/60/1148036360.db2.gz RHNANHPGCFLUKS-UHFFFAOYSA-N 2 2 304.313 2.095 20 30 DEEDLP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000090451096 185297107 /nfs/dbraw/zinc/29/71/07/185297107.db2.gz CBZDTNPKUTZQHW-AEFFLSMTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=C(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000090451096 185297108 /nfs/dbraw/zinc/29/71/08/185297108.db2.gz CBZDTNPKUTZQHW-AEFFLSMTSA-N 2 2 303.450 2.474 20 30 DEEDLP Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)c(C#N)c[nH+]1 ZINC000581939817 357271371 /nfs/dbraw/zinc/27/13/71/357271371.db2.gz JUYKIJWQCFCFOW-UHFFFAOYSA-N 2 2 307.401 2.155 20 30 DEEDLP Cc1cnn(C)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692304 358124831 /nfs/dbraw/zinc/12/48/31/358124831.db2.gz ANFARMHPZCWUCI-UHFFFAOYSA-N 2 2 323.444 2.354 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849425 781936636 /nfs/dbraw/zinc/93/66/36/781936636.db2.gz QTOGAPUQMKBQDV-ILXRZTDVSA-N 2 2 316.449 2.375 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849425 781936642 /nfs/dbraw/zinc/93/66/42/781936642.db2.gz QTOGAPUQMKBQDV-ILXRZTDVSA-N 2 2 316.449 2.375 20 30 DEEDLP CC[N@H+](CCC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602437234 360372055 /nfs/dbraw/zinc/37/20/55/360372055.db2.gz GEWILLZTHQQXBT-UHFFFAOYSA-N 2 2 317.433 2.133 20 30 DEEDLP CC[N@@H+](CCC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602437234 360372060 /nfs/dbraw/zinc/37/20/60/360372060.db2.gz GEWILLZTHQQXBT-UHFFFAOYSA-N 2 2 317.433 2.133 20 30 DEEDLP COCc1cc(C#N)ccc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000603311462 360787263 /nfs/dbraw/zinc/78/72/63/360787263.db2.gz PUKCCBACANRNNO-UHFFFAOYSA-N 2 2 316.449 2.143 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157420 361285762 /nfs/dbraw/zinc/28/57/62/361285762.db2.gz LJNYYGNRTGHWSN-WMLDXEAASA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157420 361285767 /nfs/dbraw/zinc/28/57/67/361285767.db2.gz LJNYYGNRTGHWSN-WMLDXEAASA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000611393553 361591234 /nfs/dbraw/zinc/59/12/34/361591234.db2.gz WKNFBZPREPKAPV-HNAYVOBHSA-N 2 2 313.445 2.494 20 30 DEEDLP C=CCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000450052354 241388914 /nfs/dbraw/zinc/38/89/14/241388914.db2.gz ZBLYAPLWDQGMSF-UHFFFAOYSA-N 2 2 307.482 2.265 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000373106533 148211434 /nfs/dbraw/zinc/21/14/34/148211434.db2.gz JZTJQUXEOCFEDJ-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000373106533 148211436 /nfs/dbraw/zinc/21/14/36/148211436.db2.gz JZTJQUXEOCFEDJ-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP C=CCOc1ccccc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000076898286 401801084 /nfs/dbraw/zinc/80/10/84/401801084.db2.gz JVVMCBONGFNCTH-MRXNPFEDSA-N 2 2 304.434 2.452 20 30 DEEDLP COCCCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000157201874 402292907 /nfs/dbraw/zinc/29/29/07/402292907.db2.gz BHYFSRWPMGCPML-UHFFFAOYSA-N 2 2 305.422 2.346 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000171740660 402617545 /nfs/dbraw/zinc/61/75/45/402617545.db2.gz SSSLJRBRDNZSMT-OAHLLOKOSA-N 2 2 317.437 2.297 20 30 DEEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000174284693 402735133 /nfs/dbraw/zinc/73/51/33/402735133.db2.gz QKERXFHMVMQPEY-UHFFFAOYSA-N 2 2 324.428 2.188 20 30 DEEDLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000174284693 402735135 /nfs/dbraw/zinc/73/51/35/402735135.db2.gz QKERXFHMVMQPEY-UHFFFAOYSA-N 2 2 324.428 2.188 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000267041352 403010657 /nfs/dbraw/zinc/01/06/57/403010657.db2.gz DFKYVPZBDZYJFH-SJORKVTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000267041352 403010658 /nfs/dbraw/zinc/01/06/58/403010658.db2.gz DFKYVPZBDZYJFH-SJORKVTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000267041352 403010659 /nfs/dbraw/zinc/01/06/59/403010659.db2.gz DFKYVPZBDZYJFH-SJORKVTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000267041352 403010660 /nfs/dbraw/zinc/01/06/60/403010660.db2.gz DFKYVPZBDZYJFH-SJORKVTESA-N 2 2 307.482 2.239 20 30 DEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862833 403310914 /nfs/dbraw/zinc/31/09/14/403310914.db2.gz MLJVQBKWQKKFSI-RHSMWYFYSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862833 403310918 /nfs/dbraw/zinc/31/09/18/403310918.db2.gz MLJVQBKWQKKFSI-RHSMWYFYSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862833 403310922 /nfs/dbraw/zinc/31/09/22/403310922.db2.gz MLJVQBKWQKKFSI-RHSMWYFYSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862833 403310925 /nfs/dbraw/zinc/31/09/25/403310925.db2.gz MLJVQBKWQKKFSI-RHSMWYFYSA-N 2 2 314.433 2.301 20 30 DEEDLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000287216369 403556931 /nfs/dbraw/zinc/55/69/31/403556931.db2.gz MXRSRYHLPPCBEF-INIZCTEOSA-N 2 2 304.438 2.143 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346899153 403606188 /nfs/dbraw/zinc/60/61/88/403606188.db2.gz UVDLMOAPXXTOJM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346899153 403606193 /nfs/dbraw/zinc/60/61/93/403606193.db2.gz UVDLMOAPXXTOJM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346899153 403606197 /nfs/dbraw/zinc/60/61/97/403606197.db2.gz UVDLMOAPXXTOJM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346899153 403606205 /nfs/dbraw/zinc/60/62/05/403606205.db2.gz UVDLMOAPXXTOJM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000521992981 406381469 /nfs/dbraw/zinc/38/14/69/406381469.db2.gz IJQQDLBNODCPGE-KRWDZBQOSA-N 3 2 312.461 2.112 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575878290 406827278 /nfs/dbraw/zinc/82/72/78/406827278.db2.gz DKLVQJNWZBRECM-LSDHHAIUSA-N 2 2 304.438 2.023 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575878290 406827281 /nfs/dbraw/zinc/82/72/81/406827281.db2.gz DKLVQJNWZBRECM-LSDHHAIUSA-N 2 2 304.438 2.023 20 30 DEEDLP C[C@H]1CCCN(C(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000263117770 225290618 /nfs/dbraw/zinc/29/06/18/225290618.db2.gz GCEQZODJGUVKDZ-INIZCTEOSA-N 2 2 322.497 2.068 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000248737961 225239907 /nfs/dbraw/zinc/23/99/07/225239907.db2.gz DUTFCZNDIJHUSI-AYOQOUSVSA-N 2 2 313.445 2.078 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000248737961 225239910 /nfs/dbraw/zinc/23/99/10/225239910.db2.gz DUTFCZNDIJHUSI-AYOQOUSVSA-N 2 2 313.445 2.078 20 30 DEEDLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331245866 226072403 /nfs/dbraw/zinc/07/24/03/226072403.db2.gz UJWZEDOGOIVVSU-CYBMUJFWSA-N 2 2 306.410 2.053 20 30 DEEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665385038 425558594 /nfs/dbraw/zinc/55/85/94/425558594.db2.gz UPAITGKECHBCEB-SJORKVTESA-N 2 2 324.513 2.304 20 30 DEEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665385038 425558602 /nfs/dbraw/zinc/55/86/02/425558602.db2.gz UPAITGKECHBCEB-SJORKVTESA-N 2 2 324.513 2.304 20 30 DEEDLP CN(C)C(=[NH2+])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000264101913 281896309 /nfs/dbraw/zinc/89/63/09/281896309.db2.gz ONJTUYDCBYVJCM-ZDUSSCGKSA-N 2 2 312.820 2.492 20 30 DEEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000261635427 534694997 /nfs/dbraw/zinc/69/49/97/534694997.db2.gz JZVQUGISVMTRQC-INIZCTEOSA-N 2 2 310.401 2.361 20 30 DEEDLP C[NH+]=C(NCCCCNc1cccc[nH+]1)NCc1ccco1 ZINC000264096069 526355104 /nfs/dbraw/zinc/35/51/04/526355104.db2.gz XPDFZBBQQBNREZ-UHFFFAOYSA-N 2 2 301.394 2.232 20 30 DEEDLP C=C(Cl)CNC(=[NH+]CC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261967906 526884342 /nfs/dbraw/zinc/88/43/42/526884342.db2.gz LXROZSKHOOGMRH-TZMCWYRMSA-N 2 2 309.845 2.484 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000341889568 527189946 /nfs/dbraw/zinc/18/99/46/527189946.db2.gz RVDFFOJCRAXDPZ-RYRKJORJSA-N 2 2 303.450 2.066 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000341889568 527189954 /nfs/dbraw/zinc/18/99/54/527189954.db2.gz RVDFFOJCRAXDPZ-RYRKJORJSA-N 2 2 303.450 2.066 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001379617453 1152654162 /nfs/dbraw/zinc/65/41/62/1152654162.db2.gz FFTJXMRLAYFLHZ-IIAWOOMASA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001379617453 1152654164 /nfs/dbraw/zinc/65/41/64/1152654164.db2.gz FFTJXMRLAYFLHZ-IIAWOOMASA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753448 624040064 /nfs/dbraw/zinc/04/00/64/624040064.db2.gz GRYHGWJXFUBZNQ-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753448 624040070 /nfs/dbraw/zinc/04/00/70/624040070.db2.gz GRYHGWJXFUBZNQ-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000998986745 634458621 /nfs/dbraw/zinc/45/86/21/634458621.db2.gz JBJNDNFXZUOESE-UHFFFAOYSA-N 2 2 324.856 2.258 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000162567 634772373 /nfs/dbraw/zinc/77/23/73/634772373.db2.gz YGFSGGXHHYXOFO-OLZOCXBDSA-N 2 2 322.840 2.163 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998043106 634122364 /nfs/dbraw/zinc/12/23/64/634122364.db2.gz WTKXAMTTYDIKMZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998043106 634122368 /nfs/dbraw/zinc/12/23/68/634122368.db2.gz WTKXAMTTYDIKMZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998043106 634122371 /nfs/dbraw/zinc/12/23/71/634122371.db2.gz WTKXAMTTYDIKMZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998043106 634122373 /nfs/dbraw/zinc/12/23/73/634122373.db2.gz WTKXAMTTYDIKMZ-ARFHVFGLSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980232337 634907137 /nfs/dbraw/zinc/90/71/37/634907137.db2.gz WGYIKGYKTKZLNR-XHSDSOJGSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980232337 634907139 /nfs/dbraw/zinc/90/71/39/634907139.db2.gz WGYIKGYKTKZLNR-XHSDSOJGSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981168514 635339271 /nfs/dbraw/zinc/33/92/71/635339271.db2.gz VNZRGQYAFPJLNS-CVEARBPZSA-N 2 2 317.433 2.226 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982142480 635886959 /nfs/dbraw/zinc/88/69/59/635886959.db2.gz DIGHMNRGTUPVCY-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982142480 635886963 /nfs/dbraw/zinc/88/69/63/635886963.db2.gz DIGHMNRGTUPVCY-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000982142480 635886965 /nfs/dbraw/zinc/88/69/65/635886965.db2.gz DIGHMNRGTUPVCY-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000982142480 635886967 /nfs/dbraw/zinc/88/69/67/635886967.db2.gz DIGHMNRGTUPVCY-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000895163628 637703182 /nfs/dbraw/zinc/70/31/82/637703182.db2.gz WVKSLPJSTUFYJJ-DJIMGWMZSA-N 2 2 317.433 2.009 20 30 DEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000895163628 637703188 /nfs/dbraw/zinc/70/31/88/637703188.db2.gz WVKSLPJSTUFYJJ-DJIMGWMZSA-N 2 2 317.433 2.009 20 30 DEEDLP C=C(Br)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000747531699 638448052 /nfs/dbraw/zinc/44/80/52/638448052.db2.gz MXICJNHJXAXWKD-ZDUSSCGKSA-N 2 2 305.260 2.328 20 30 DEEDLP C=C(Br)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000747531699 638448054 /nfs/dbraw/zinc/44/80/54/638448054.db2.gz MXICJNHJXAXWKD-ZDUSSCGKSA-N 2 2 305.260 2.328 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000951182821 639775873 /nfs/dbraw/zinc/77/58/73/639775873.db2.gz FSKHKOPSMXLNTR-UHFFFAOYSA-N 2 2 304.438 2.117 20 30 DEEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000767352055 640968464 /nfs/dbraw/zinc/96/84/64/640968464.db2.gz NHHUXSIWYGLQOF-MRXNPFEDSA-N 2 2 300.450 2.132 20 30 DEEDLP C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000767352055 640968469 /nfs/dbraw/zinc/96/84/69/640968469.db2.gz NHHUXSIWYGLQOF-MRXNPFEDSA-N 2 2 300.450 2.132 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC(CCO)C3)CC2)cc1 ZINC000898010155 640991925 /nfs/dbraw/zinc/99/19/25/640991925.db2.gz DNQMPFXLDIZSLK-UHFFFAOYSA-N 2 2 313.445 2.273 20 30 DEEDLP N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000767732036 641015745 /nfs/dbraw/zinc/01/57/45/641015745.db2.gz MZZPTGCNASAKFP-IBGZPJMESA-N 2 2 311.429 2.104 20 30 DEEDLP N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000767732036 641015747 /nfs/dbraw/zinc/01/57/47/641015747.db2.gz MZZPTGCNASAKFP-IBGZPJMESA-N 2 2 311.429 2.104 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634337 641174649 /nfs/dbraw/zinc/17/46/49/641174649.db2.gz BKHYHGHEHNFKHN-GDBMZVCRSA-N 2 2 310.401 2.251 20 30 DEEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000924643521 641536119 /nfs/dbraw/zinc/53/61/19/641536119.db2.gz OHWJPAJQJRPFGV-QAPCUYQASA-N 2 2 315.461 2.324 20 30 DEEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000924643521 641536125 /nfs/dbraw/zinc/53/61/25/641536125.db2.gz OHWJPAJQJRPFGV-QAPCUYQASA-N 2 2 315.461 2.324 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248740 649028014 /nfs/dbraw/zinc/02/80/14/649028014.db2.gz ZBESXWXXVNALMW-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248740 649028017 /nfs/dbraw/zinc/02/80/17/649028017.db2.gz ZBESXWXXVNALMW-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000304721970 685258260 /nfs/dbraw/zinc/25/82/60/685258260.db2.gz OVNLSWPNFMOQTK-AWEZNQCLSA-N 2 2 306.429 2.304 20 30 DEEDLP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000304721970 685258263 /nfs/dbraw/zinc/25/82/63/685258263.db2.gz OVNLSWPNFMOQTK-AWEZNQCLSA-N 2 2 306.429 2.304 20 30 DEEDLP Cn1cc[nH+]c1N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000930069409 694083082 /nfs/dbraw/zinc/08/30/82/694083082.db2.gz ZCMDXFHRNNDAQW-UHFFFAOYSA-N 2 2 301.438 2.406 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017553033 687910894 /nfs/dbraw/zinc/91/08/94/687910894.db2.gz URFMOQJKCBPOBA-IYBDPMFKSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017553033 687910898 /nfs/dbraw/zinc/91/08/98/687910898.db2.gz URFMOQJKCBPOBA-IYBDPMFKSA-N 2 2 305.466 2.112 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413086 689143985 /nfs/dbraw/zinc/14/39/85/689143985.db2.gz BDXUNTMFWZGONN-PMPSAXMXSA-N 2 2 316.449 2.258 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413086 689143986 /nfs/dbraw/zinc/14/39/86/689143986.db2.gz BDXUNTMFWZGONN-PMPSAXMXSA-N 2 2 316.449 2.258 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553908 689540795 /nfs/dbraw/zinc/54/07/95/689540795.db2.gz MCAYVRPNDRCOHA-QGZVFWFLSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553908 689540799 /nfs/dbraw/zinc/54/07/99/689540799.db2.gz MCAYVRPNDRCOHA-QGZVFWFLSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034251784 689782890 /nfs/dbraw/zinc/78/28/90/689782890.db2.gz BWUVBQMLBQOQSQ-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034251784 689782893 /nfs/dbraw/zinc/78/28/93/689782893.db2.gz 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324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001418169867 1167458269 /nfs/dbraw/zinc/45/82/69/1167458269.db2.gz DFLQQOJDGBMADY-HUUCEWRRSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001421248148 1171634380 /nfs/dbraw/zinc/63/43/80/1171634380.db2.gz MFSPPQZAMCAMFG-MLGOLLRUSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001421248148 1171634382 /nfs/dbraw/zinc/63/43/82/1171634382.db2.gz MFSPPQZAMCAMFG-MLGOLLRUSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439331115 1181025496 /nfs/dbraw/zinc/02/54/96/1181025496.db2.gz WTTFLLOTZUMHCS-CQSZACIVSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439331115 1181025502 /nfs/dbraw/zinc/02/55/02/1181025502.db2.gz WTTFLLOTZUMHCS-CQSZACIVSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001445043646 1183737070 /nfs/dbraw/zinc/73/70/70/1183737070.db2.gz MWBQVFDGOOXFMA-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001445043646 1183737076 /nfs/dbraw/zinc/73/70/76/1183737076.db2.gz MWBQVFDGOOXFMA-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001445043646 1183737086 /nfs/dbraw/zinc/73/70/86/1183737086.db2.gz MWBQVFDGOOXFMA-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001445043646 1183737094 /nfs/dbraw/zinc/73/70/94/1183737094.db2.gz MWBQVFDGOOXFMA-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001445043652 1183737343 /nfs/dbraw/zinc/73/73/43/1183737343.db2.gz MWBQVFDGOOXFMA-OAHLLOKOSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001445043652 1183737350 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20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539968 783191533 /nfs/dbraw/zinc/19/15/33/783191533.db2.gz PZDLJJSWSOJZPC-OAHLLOKOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539967 783191952 /nfs/dbraw/zinc/19/19/52/783191952.db2.gz PZDLJJSWSOJZPC-HNNXBMFYSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539967 783191957 /nfs/dbraw/zinc/19/19/57/783191957.db2.gz PZDLJJSWSOJZPC-HNNXBMFYSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665194 778005467 /nfs/dbraw/zinc/00/54/67/778005467.db2.gz PMZGZYKXQBNZHX-RBSFLKMASA-N 2 2 316.449 2.090 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942191 778969412 /nfs/dbraw/zinc/96/94/12/778969412.db2.gz CIBRBQJLGRPAEW-UHFFFAOYSA-N 2 2 318.465 2.195 20 30 DEEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782212 779449973 /nfs/dbraw/zinc/44/99/73/779449973.db2.gz CIAPXNRTQDAPID-ZWKOTPCHSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782212 779449977 /nfs/dbraw/zinc/44/99/77/779449977.db2.gz CIAPXNRTQDAPID-ZWKOTPCHSA-N 2 2 322.412 2.088 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085250090 783604274 /nfs/dbraw/zinc/60/42/74/783604274.db2.gz FAXKRCRIOXECNF-USXIJHARSA-N 2 2 316.449 2.039 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915675 783819815 /nfs/dbraw/zinc/81/98/15/783819815.db2.gz QTPIKDXBTNWKJZ-SUMWQHHRSA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915675 783819821 /nfs/dbraw/zinc/81/98/21/783819821.db2.gz QTPIKDXBTNWKJZ-SUMWQHHRSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595513 784486371 /nfs/dbraw/zinc/48/63/71/784486371.db2.gz AODNUPQEMVWXIC-BBRMVZONSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595513 784486378 /nfs/dbraw/zinc/48/63/78/784486378.db2.gz AODNUPQEMVWXIC-BBRMVZONSA-N 2 2 304.438 2.053 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001007519617 784944314 /nfs/dbraw/zinc/94/43/14/784944314.db2.gz RWXZHQGXWZMOKG-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001007519617 784944316 /nfs/dbraw/zinc/94/43/16/784944316.db2.gz RWXZHQGXWZMOKG-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001007519617 784944319 /nfs/dbraw/zinc/94/43/19/784944319.db2.gz RWXZHQGXWZMOKG-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001007519617 784944323 /nfs/dbraw/zinc/94/43/23/784944323.db2.gz RWXZHQGXWZMOKG-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799360 785543311 /nfs/dbraw/zinc/54/33/11/785543311.db2.gz NCAFYBOMEDTJIT-KKUMJFAQSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001113387868 786559086 /nfs/dbraw/zinc/55/90/86/786559086.db2.gz UUFREOPEEBFALM-CVEARBPZSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCCCCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001113596697 786714247 /nfs/dbraw/zinc/71/42/47/786714247.db2.gz ZJLVGFQHMDPWBD-UHFFFAOYSA-N 2 2 318.465 2.243 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222177 787979531 /nfs/dbraw/zinc/97/95/31/787979531.db2.gz UWYVLHMMQHSUGM-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222177 787979534 /nfs/dbraw/zinc/97/95/34/787979534.db2.gz UWYVLHMMQHSUGM-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132446319 788081711 /nfs/dbraw/zinc/08/17/11/788081711.db2.gz WVHZZKPOLAEPTJ-HIFRSBDPSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132446319 788081717 /nfs/dbraw/zinc/08/17/17/788081717.db2.gz WVHZZKPOLAEPTJ-HIFRSBDPSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875168 788215934 /nfs/dbraw/zinc/21/59/34/788215934.db2.gz UJRYITTZYQQPHX-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875168 788215937 /nfs/dbraw/zinc/21/59/37/788215937.db2.gz UJRYITTZYQQPHX-HZPDHXFCSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242833 788330885 /nfs/dbraw/zinc/33/08/85/788330885.db2.gz YBGUMYRKFKBCRJ-GJZGRUSLSA-N 2 2 318.465 2.338 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133288620 788349975 /nfs/dbraw/zinc/34/99/75/788349975.db2.gz JTCOIRLFSJEYTE-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134743907 789061242 /nfs/dbraw/zinc/06/12/42/789061242.db2.gz FPSSGVIMMMFLGT-GJZGRUSLSA-N 2 2 319.449 2.472 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732842 789065200 /nfs/dbraw/zinc/06/52/00/789065200.db2.gz ONQBDKINBXDWFS-UONOGXRCSA-N 2 2 305.422 2.082 20 30 DEEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968635 789150412 /nfs/dbraw/zinc/15/04/12/789150412.db2.gz FFRWESKEGKEADK-KGLIPLIRSA-N 2 2 300.406 2.397 20 30 DEEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097943 789196532 /nfs/dbraw/zinc/19/65/32/789196532.db2.gz RZIYSBPJPXAOCW-CVEARBPZSA-N 2 2 324.428 2.382 20 30 DEEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096819 789196571 /nfs/dbraw/zinc/19/65/71/789196571.db2.gz BWUCSCZAGIQVEC-CVEARBPZSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C 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POMAAUFZHZENKX-JYJNAYRXSA-N 2 2 304.438 2.285 20 30 DEEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001485456832 1080213552 /nfs/dbraw/zinc/21/35/52/1080213552.db2.gz AYIYTANAUNKXME-HNNXBMFYSA-N 2 2 316.449 2.020 20 30 DEEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001485456832 1080213559 /nfs/dbraw/zinc/21/35/59/1080213559.db2.gz AYIYTANAUNKXME-HNNXBMFYSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001485528443 1080270930 /nfs/dbraw/zinc/27/09/30/1080270930.db2.gz CVIJVCSGTBDVCI-CYBMUJFWSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076481 1080581526 /nfs/dbraw/zinc/58/15/26/1080581526.db2.gz XOLKXTCLIIGDLJ-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001663397093 1080739496 /nfs/dbraw/zinc/73/94/96/1080739496.db2.gz SWOGWHACWIXFHH-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001663397093 1080739507 /nfs/dbraw/zinc/73/95/07/1080739507.db2.gz SWOGWHACWIXFHH-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268574398 1080789716 /nfs/dbraw/zinc/78/97/16/1080789716.db2.gz HTRZRLZNJJLFKH-SNAWJCMRSA-N 2 2 310.401 2.324 20 30 DEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001665367731 1081020307 /nfs/dbraw/zinc/02/03/07/1081020307.db2.gz UOIRDJOMTIOZIX-UHFFFAOYSA-N 2 2 313.873 2.053 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001268983775 1081074460 /nfs/dbraw/zinc/07/44/60/1081074460.db2.gz ITMINTGBESGGID-HOTGVXAUSA-N 2 2 316.449 2.292 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001268983775 1081074464 /nfs/dbraw/zinc/07/44/64/1081074464.db2.gz ITMINTGBESGGID-HOTGVXAUSA-N 2 2 316.449 2.292 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268993803 1081079628 /nfs/dbraw/zinc/07/96/28/1081079628.db2.gz YANURPCNQBVIDD-IKGGRYGDSA-N 2 2 316.449 2.303 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268993803 1081079638 /nfs/dbraw/zinc/07/96/38/1081079638.db2.gz YANURPCNQBVIDD-IKGGRYGDSA-N 2 2 316.449 2.303 20 30 DEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001667217619 1081226085 /nfs/dbraw/zinc/22/60/85/1081226085.db2.gz SFMKSTPWMDJDEQ-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298606 1081239348 /nfs/dbraw/zinc/23/93/48/1081239348.db2.gz HBQBPESJBPOZCK-KFWWJZLASA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298606 1081239354 /nfs/dbraw/zinc/23/93/54/1081239354.db2.gz HBQBPESJBPOZCK-KFWWJZLASA-N 2 2 313.873 2.192 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001669348978 1081446618 /nfs/dbraw/zinc/44/66/18/1081446618.db2.gz RTRBDSGHCAAAJC-UONOGXRCSA-N 2 2 300.406 2.397 20 30 DEEDLP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001671558969 1081523377 /nfs/dbraw/zinc/52/33/77/1081523377.db2.gz LIOGJGMIQDPANI-NVXWUHKLSA-N 2 2 316.449 2.122 20 30 DEEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001672215474 1081568523 /nfs/dbraw/zinc/56/85/23/1081568523.db2.gz KIUPTOJAUIYWFB-DOTOQJQBSA-N 2 2 313.445 2.470 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001672328561 1081584075 /nfs/dbraw/zinc/58/40/75/1081584075.db2.gz OYHIVOQMSKCJOG-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001482433638 1081823021 /nfs/dbraw/zinc/82/30/21/1081823021.db2.gz LEQVBTXXFVUEBG-NVXWUHKLSA-N 2 2 318.465 2.146 20 30 DEEDLP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001271285454 1082004095 /nfs/dbraw/zinc/00/40/95/1082004095.db2.gz GJLUKSLKDAKIGU-QGZVFWFLSA-N 2 2 324.428 2.240 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001266382569 1082011246 /nfs/dbraw/zinc/01/12/46/1082011246.db2.gz SXTGRJIZSPKXLR-JKSUJKDBSA-N 2 2 316.449 2.209 20 30 DEEDLP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001271716187 1082117777 /nfs/dbraw/zinc/11/77/77/1082117777.db2.gz RCPPEBMYHXSNKQ-SUMWQHHRSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266751625 1082320768 /nfs/dbraw/zinc/32/07/68/1082320768.db2.gz IMBHJXKRPSGSHN-IAGOWNOFSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266751625 1082320777 /nfs/dbraw/zinc/32/07/77/1082320777.db2.gz IMBHJXKRPSGSHN-IAGOWNOFSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001276624318 1083520326 /nfs/dbraw/zinc/52/03/26/1083520326.db2.gz ISGVCTDHHBWHNJ-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001276624318 1083520334 /nfs/dbraw/zinc/52/03/34/1083520334.db2.gz ISGVCTDHHBWHNJ-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001272826826 1084320016 /nfs/dbraw/zinc/32/00/16/1084320016.db2.gz WMJSSGWDKIGRBX-UHFFFAOYSA-N 2 2 316.449 2.151 20 30 DEEDLP CCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277938952 1084400424 /nfs/dbraw/zinc/40/04/24/1084400424.db2.gz JVJJVNCJRZCTBI-UHFFFAOYSA-N 2 2 315.465 2.495 20 30 DEEDLP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277938952 1084400429 /nfs/dbraw/zinc/40/04/29/1084400429.db2.gz JVJJVNCJRZCTBI-UHFFFAOYSA-N 2 2 315.465 2.495 20 30 DEEDLP N#CCCCC[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277951334 1084456555 /nfs/dbraw/zinc/45/65/55/1084456555.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 3 2 315.465 2.221 20 30 DEEDLP N#CCCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277951334 1084456558 /nfs/dbraw/zinc/45/65/58/1084456558.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 3 2 315.465 2.221 20 30 DEEDLP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277951334 1084456564 /nfs/dbraw/zinc/45/65/64/1084456564.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 3 2 315.465 2.221 20 30 DEEDLP N#CCCCC[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277951334 1084456568 /nfs/dbraw/zinc/45/65/68/1084456568.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 3 2 315.465 2.221 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001078657208 1084784889 /nfs/dbraw/zinc/78/48/89/1084784889.db2.gz RHDPMJVXCPTRIV-HUUCEWRRSA-N 2 2 316.449 2.130 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053375 1090617201 /nfs/dbraw/zinc/61/72/01/1090617201.db2.gz RFPPIROHRWYPEC-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053375 1090617202 /nfs/dbraw/zinc/61/72/02/1090617202.db2.gz RFPPIROHRWYPEC-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053375 1090617204 /nfs/dbraw/zinc/61/72/04/1090617204.db2.gz RFPPIROHRWYPEC-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053375 1090617211 /nfs/dbraw/zinc/61/72/11/1090617211.db2.gz RFPPIROHRWYPEC-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053028 1090617236 /nfs/dbraw/zinc/61/72/36/1090617236.db2.gz ZBTDSLHPKVCGES-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053028 1090617239 /nfs/dbraw/zinc/61/72/39/1090617239.db2.gz ZBTDSLHPKVCGES-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053028 1090617241 /nfs/dbraw/zinc/61/72/41/1090617241.db2.gz ZBTDSLHPKVCGES-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053028 1090617245 /nfs/dbraw/zinc/61/72/45/1090617245.db2.gz ZBTDSLHPKVCGES-INMHGKMJSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001273824704 1092220565 /nfs/dbraw/zinc/22/05/65/1092220565.db2.gz KEBBDCSDWRBKBM-GOSISDBHSA-N 2 2 324.428 2.002 20 30 DEEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001273824704 1092220574 /nfs/dbraw/zinc/22/05/74/1092220574.db2.gz KEBBDCSDWRBKBM-GOSISDBHSA-N 2 2 324.428 2.002 20 30 DEEDLP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001489001054 1092877623 /nfs/dbraw/zinc/87/76/23/1092877623.db2.gz HIDLXGSYCDCUQL-PBHICJAKSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001489005183 1092885901 /nfs/dbraw/zinc/88/59/01/1092885901.db2.gz YHYUVZKLONRAQS-YOEHRIQHSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCCC[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001490225628 1093247060 /nfs/dbraw/zinc/24/70/60/1093247060.db2.gz XCLROAMVPGCQMC-UHFFFAOYSA-N 2 2 300.406 2.352 20 30 DEEDLP C=CCCC[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001490225628 1093247064 /nfs/dbraw/zinc/24/70/64/1093247064.db2.gz XCLROAMVPGCQMC-UHFFFAOYSA-N 2 2 300.406 2.352 20 30 DEEDLP C=CCC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001490666049 1093457950 /nfs/dbraw/zinc/45/79/50/1093457950.db2.gz XSGFMWHVOLUHOH-MRXNPFEDSA-N 2 2 312.417 2.317 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001319696482 1140673072 /nfs/dbraw/zinc/67/30/72/1140673072.db2.gz JYDSVSKOQCWSMN-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001319809404 1140733294 /nfs/dbraw/zinc/73/32/94/1140733294.db2.gz NCBPWHLKQILDPG-GJZGRUSLSA-N 2 2 324.428 2.417 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322582716 1141636293 /nfs/dbraw/zinc/63/62/93/1141636293.db2.gz VLEWFWFTFBSLNC-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP CCCCCCCC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252140607 1142654474 /nfs/dbraw/zinc/65/44/74/1142654474.db2.gz CBWXZOWFKFQQNL-INIZCTEOSA-N 2 2 300.487 2.144 20 30 DEEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256077709 1143828309 /nfs/dbraw/zinc/82/83/09/1143828309.db2.gz HRHGFBFRFLNCGI-OALUTQOASA-N 2 2 320.477 2.439 20 30 DEEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256077709 1143828310 /nfs/dbraw/zinc/82/83/10/1143828310.db2.gz HRHGFBFRFLNCGI-OALUTQOASA-N 2 2 320.477 2.439 20 30 DEEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278998373 1143891865 /nfs/dbraw/zinc/89/18/65/1143891865.db2.gz DOLJFRMQSGAJDY-WBVHZDCISA-N 2 2 324.428 2.106 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001264163161 1144493850 /nfs/dbraw/zinc/49/38/50/1144493850.db2.gz ABUHNMGNUHQJCN-FMKPAKJESA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001264163161 1144493851 /nfs/dbraw/zinc/49/38/51/1144493851.db2.gz ABUHNMGNUHQJCN-FMKPAKJESA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001264163161 1144493852 /nfs/dbraw/zinc/49/38/52/1144493852.db2.gz ABUHNMGNUHQJCN-FMKPAKJESA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001264163161 1144493854 /nfs/dbraw/zinc/49/38/54/1144493854.db2.gz ABUHNMGNUHQJCN-FMKPAKJESA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264685848 1144593329 /nfs/dbraw/zinc/59/33/29/1144593329.db2.gz SPXAIXVBGJQJDR-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088997 1144640512 /nfs/dbraw/zinc/64/05/12/1144640512.db2.gz IMEBMHPPIIXQDX-GOEBONIOSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265626128 1144719131 /nfs/dbraw/zinc/71/91/31/1144719131.db2.gz OUENSQPEGZXECV-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265626128 1144719133 /nfs/dbraw/zinc/71/91/33/1144719133.db2.gz OUENSQPEGZXECV-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266057757 1144801337 /nfs/dbraw/zinc/80/13/37/1144801337.db2.gz ORQHBSQIFSHACX-CQSZACIVSA-N 2 2 324.856 2.026 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266057757 1144801338 /nfs/dbraw/zinc/80/13/38/1144801338.db2.gz ORQHBSQIFSHACX-CQSZACIVSA-N 2 2 324.856 2.026 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279315405 1144820655 /nfs/dbraw/zinc/82/06/55/1144820655.db2.gz IQSFKCMVUGJABV-GRTSSRMGSA-N 2 2 304.438 2.194 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001280394287 1144837851 /nfs/dbraw/zinc/83/78/51/1144837851.db2.gz HNMMZFCUAGLOMH-INIZCTEOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001280743628 1144852099 /nfs/dbraw/zinc/85/20/99/1144852099.db2.gz IWIKSLQFIURGTE-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001280743628 1144852100 /nfs/dbraw/zinc/85/21/00/1144852100.db2.gz IWIKSLQFIURGTE-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281047496 1144870245 /nfs/dbraw/zinc/87/02/45/1144870245.db2.gz WQNQPZWBWOYGCW-UHFFFAOYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001281890594 1144918515 /nfs/dbraw/zinc/91/85/15/1144918515.db2.gz UETCBCRKSFWAST-KRWDZBQOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282431092 1145066089 /nfs/dbraw/zinc/06/60/89/1145066089.db2.gz JPKYSTDTTOYRGL-AWEZNQCLSA-N 2 2 300.406 2.351 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282431092 1145066098 /nfs/dbraw/zinc/06/60/98/1145066098.db2.gz JPKYSTDTTOYRGL-AWEZNQCLSA-N 2 2 300.406 2.351 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283509583 1145486434 /nfs/dbraw/zinc/48/64/34/1145486434.db2.gz VLSICXISMROCHO-INMHGKMJSA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283509583 1145486446 /nfs/dbraw/zinc/48/64/46/1145486446.db2.gz VLSICXISMROCHO-INMHGKMJSA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001284095750 1145796914 /nfs/dbraw/zinc/79/69/14/1145796914.db2.gz JGJOKPMHQZNKIP-DJIMGWMZSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480650002 1145812061 /nfs/dbraw/zinc/81/20/61/1145812061.db2.gz BJAMPPOBNVFSCC-OAHLLOKOSA-N 2 2 317.433 2.037 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001491811169 1146931981 /nfs/dbraw/zinc/93/19/81/1146931981.db2.gz RUGBOOGJBGPHST-MRXNPFEDSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001308256216 1147460599 /nfs/dbraw/zinc/46/05/99/1147460599.db2.gz MIOMYORGNCQJBE-SJLPKXTDSA-N 2 2 302.418 2.204 20 30 DEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001308256216 1147460611 /nfs/dbraw/zinc/46/06/11/1147460611.db2.gz MIOMYORGNCQJBE-SJLPKXTDSA-N 2 2 302.418 2.204 20 30 DEEDLP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317373969 1147698607 /nfs/dbraw/zinc/69/86/07/1147698607.db2.gz AMNIEYHQLXWORT-QGZVFWFLSA-N 2 2 324.428 2.202 20 30 DEEDLP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317373969 1147698608 /nfs/dbraw/zinc/69/86/08/1147698608.db2.gz AMNIEYHQLXWORT-QGZVFWFLSA-N 2 2 324.428 2.202 20 30 DEEDLP C=CCCC[NH2+]CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001317640452 1147737217 /nfs/dbraw/zinc/73/72/17/1147737217.db2.gz RFTOWMIQNFSRRW-UHFFFAOYSA-N 2 2 314.433 2.199 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324656254 1147826602 /nfs/dbraw/zinc/82/66/02/1147826602.db2.gz LXOIQEDGAJYOKJ-RDJZCZTQSA-N 2 2 304.438 2.381 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324656254 1147826606 /nfs/dbraw/zinc/82/66/06/1147826606.db2.gz LXOIQEDGAJYOKJ-RDJZCZTQSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325466008 1147919138 /nfs/dbraw/zinc/91/91/38/1147919138.db2.gz JXRHQEBHYLHVBO-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151339346 539527900 /nfs/dbraw/zinc/52/79/00/539527900.db2.gz DVJGAIXMWPEIOT-INIZCTEOSA-N 2 2 316.449 2.017 20 30 DEEDLP COc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000174253213 198311040 /nfs/dbraw/zinc/31/10/40/198311040.db2.gz WXOFBNYNYSMUPQ-GASCZTMLSA-N 2 2 317.433 2.156 20 30 DEEDLP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000174253213 198311042 /nfs/dbraw/zinc/31/10/42/198311042.db2.gz WXOFBNYNYSMUPQ-GASCZTMLSA-N 2 2 317.433 2.156 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000057154527 354559025 /nfs/dbraw/zinc/55/90/25/354559025.db2.gz BFASHRVAESCDSO-UHFFFAOYSA-N 2 2 308.385 2.156 20 30 DEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1c(F)cccc1Cl ZINC000073772687 354981205 /nfs/dbraw/zinc/98/12/05/354981205.db2.gz KDVTUXLPURZIBB-UHFFFAOYSA-N 2 2 323.803 2.383 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959986 355396237 /nfs/dbraw/zinc/39/62/37/355396237.db2.gz YHSBJXLYRANCAA-ZFWWWQNUSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959986 355396239 /nfs/dbraw/zinc/39/62/39/355396239.db2.gz YHSBJXLYRANCAA-ZFWWWQNUSA-N 2 2 323.400 2.488 20 30 DEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCC1CCC1 ZINC000083820828 355470884 /nfs/dbraw/zinc/47/08/84/355470884.db2.gz DMVJXMWPQMNAPU-UHFFFAOYSA-N 2 2 306.479 2.071 20 30 DEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCC1CCC1 ZINC000083820828 355470887 /nfs/dbraw/zinc/47/08/87/355470887.db2.gz DMVJXMWPQMNAPU-UHFFFAOYSA-N 2 2 306.479 2.071 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000593323974 358054404 /nfs/dbraw/zinc/05/44/04/358054404.db2.gz UYYVNCNREGNJNU-YOFSQIOKSA-N 3 2 324.472 2.395 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000594495734 358283060 /nfs/dbraw/zinc/28/30/60/358283060.db2.gz UVJGOAAMTSVWPA-INIZCTEOSA-N 2 2 303.381 2.040 20 30 DEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000595100820 358389523 /nfs/dbraw/zinc/38/95/23/358389523.db2.gz JEEZXKUJENTHPG-IEBWSBKVSA-N 2 2 311.429 2.388 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](CCc3ccc(C#N)cc3)CC2)c1 ZINC000595305178 358417636 /nfs/dbraw/zinc/41/76/36/358417636.db2.gz XVKVBQIMYJJQRW-UHFFFAOYSA-N 2 2 322.412 2.327 20 30 DEEDLP CN(c1cccc(F)c1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372605876 133360706 /nfs/dbraw/zinc/36/07/06/133360706.db2.gz LHNKUCHXHZRSEP-OAHLLOKOSA-N 2 2 316.424 2.302 20 30 DEEDLP CN(c1cccc(F)c1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372605876 133360707 /nfs/dbraw/zinc/36/07/07/133360707.db2.gz LHNKUCHXHZRSEP-OAHLLOKOSA-N 2 2 316.424 2.302 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154729922 402227943 /nfs/dbraw/zinc/22/79/43/402227943.db2.gz AEQWTNWAKLQNCV-DLBZAZTESA-N 2 2 307.482 2.121 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154729922 402227946 /nfs/dbraw/zinc/22/79/46/402227946.db2.gz AEQWTNWAKLQNCV-DLBZAZTESA-N 2 2 307.482 2.121 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC(O)CC3)CC2)cc1 ZINC000125079564 402211873 /nfs/dbraw/zinc/21/18/73/402211873.db2.gz KILIXMUGPYJSGX-UHFFFAOYSA-N 2 2 313.445 2.416 20 30 DEEDLP CNC(NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)=[NH+]C ZINC000183887156 402803489 /nfs/dbraw/zinc/80/34/89/402803489.db2.gz OTJQJURJTPUCFL-LBPRGKRZSA-N 2 2 302.344 2.103 20 30 DEEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000267187849 403023001 /nfs/dbraw/zinc/02/30/01/403023001.db2.gz LSDGMQGWJAQIOJ-UHFFFAOYSA-N 2 2 307.829 2.045 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000270642608 403208207 /nfs/dbraw/zinc/20/82/07/403208207.db2.gz JNLQEWFBVXHFFM-UHFFFAOYSA-N 2 2 313.380 2.025 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362389631 403951236 /nfs/dbraw/zinc/95/12/36/403951236.db2.gz BWIKKODNEUGRCF-SOLBZPMBSA-N 2 2 322.497 2.093 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362389631 403951243 /nfs/dbraw/zinc/95/12/43/403951243.db2.gz BWIKKODNEUGRCF-SOLBZPMBSA-N 2 2 322.497 2.093 20 30 DEEDLP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328636431 404120174 /nfs/dbraw/zinc/12/01/74/404120174.db2.gz AIDIFLBKMNUACU-OAHLLOKOSA-N 2 2 319.453 2.011 20 30 DEEDLP CC[N@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328636431 404120181 /nfs/dbraw/zinc/12/01/81/404120181.db2.gz AIDIFLBKMNUACU-OAHLLOKOSA-N 2 2 319.453 2.011 20 30 DEEDLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000329283945 404289132 /nfs/dbraw/zinc/28/91/32/404289132.db2.gz NRZCGQRAMCFUKX-AWEZNQCLSA-N 2 2 320.437 2.332 20 30 DEEDLP C=CCCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000356113716 404392059 /nfs/dbraw/zinc/39/20/59/404392059.db2.gz RDMNROBHCLOQMM-UHFFFAOYSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000356113716 404392065 /nfs/dbraw/zinc/39/20/65/404392065.db2.gz RDMNROBHCLOQMM-UHFFFAOYSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365085943 404557335 /nfs/dbraw/zinc/55/73/35/404557335.db2.gz RWZKCABMJIKGFD-KRWDZBQOSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365085943 404557339 /nfs/dbraw/zinc/55/73/39/404557339.db2.gz RWZKCABMJIKGFD-KRWDZBQOSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353335366 404806204 /nfs/dbraw/zinc/80/62/04/404806204.db2.gz LAVJTNJCCWFNPA-UHFFFAOYSA-N 2 2 310.486 2.010 20 30 DEEDLP C=CCCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353335366 404806206 /nfs/dbraw/zinc/80/62/06/404806206.db2.gz LAVJTNJCCWFNPA-UHFFFAOYSA-N 2 2 310.486 2.010 20 30 DEEDLP C=CCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000358773670 404774978 /nfs/dbraw/zinc/77/49/78/404774978.db2.gz QJORQDUMYJPUKY-UHFFFAOYSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000358773670 404774979 /nfs/dbraw/zinc/77/49/79/404774979.db2.gz QJORQDUMYJPUKY-UHFFFAOYSA-N 2 2 307.482 2.217 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423386635 405784525 /nfs/dbraw/zinc/78/45/25/405784525.db2.gz MDEHFBHGJKIMBS-MJGOQNOKSA-N 3 2 312.461 2.382 20 30 DEEDLP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423461903 405813504 /nfs/dbraw/zinc/81/35/04/405813504.db2.gz TXMNQMZRHFUJGM-HNNXBMFYSA-N 3 2 300.450 2.240 20 30 DEEDLP CC[C@@H](CC#N)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000566982412 406093387 /nfs/dbraw/zinc/09/33/87/406093387.db2.gz VPWFFIMEEGGMCS-KRWDZBQOSA-N 2 2 300.450 2.481 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001422919492 1172932497 /nfs/dbraw/zinc/93/24/97/1172932497.db2.gz PSEKFROQVGVZOT-GDBMZVCRSA-N 2 2 323.868 2.478 20 30 DEEDLP C=CCN1CC[C@@H]([NH+]2CCC(CC)([NH+]3CCCC3)CC2)C1=O ZINC000639986760 406345938 /nfs/dbraw/zinc/34/59/38/406345938.db2.gz QZNQZXVQOABEOB-MRXNPFEDSA-N 2 2 305.466 2.114 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786034 406891670 /nfs/dbraw/zinc/89/16/70/406891670.db2.gz NEBCZVISOSCGSS-QRVBRYPASA-N 2 2 321.509 2.117 20 30 DEEDLP Cc1cc(C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)ccc1C#N ZINC000570579720 292492095 /nfs/dbraw/zinc/49/20/95/292492095.db2.gz BWHZKALAQHVOOP-UHFFFAOYSA-N 2 2 301.434 2.192 20 30 DEEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129365192 196042677 /nfs/dbraw/zinc/04/26/77/196042677.db2.gz OYVDBCGNIOQEMR-PBHICJAKSA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129365192 196042678 /nfs/dbraw/zinc/04/26/78/196042678.db2.gz OYVDBCGNIOQEMR-PBHICJAKSA-N 2 2 323.400 2.276 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000651759505 425145911 /nfs/dbraw/zinc/14/59/11/425145911.db2.gz RYFSGBXXTZKIGY-BZUAXINKSA-N 2 2 316.449 2.246 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000651806131 425147826 /nfs/dbraw/zinc/14/78/26/425147826.db2.gz STPYMVOXPURFSP-VUCRHFMTSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000651806131 425147827 /nfs/dbraw/zinc/14/78/27/425147827.db2.gz STPYMVOXPURFSP-VUCRHFMTSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)nn1 ZINC000657413652 425330018 /nfs/dbraw/zinc/33/00/18/425330018.db2.gz PPDQXVZALXWYAO-MRXNPFEDSA-N 2 2 305.470 2.312 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC000657413652 425330020 /nfs/dbraw/zinc/33/00/20/425330020.db2.gz PPDQXVZALXWYAO-MRXNPFEDSA-N 2 2 305.470 2.312 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297870 425618262 /nfs/dbraw/zinc/61/82/62/425618262.db2.gz RNTYQUHEEUSABZ-ZDUSSCGKSA-N 2 2 309.479 2.320 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297870 425618265 /nfs/dbraw/zinc/61/82/65/425618265.db2.gz RNTYQUHEEUSABZ-ZDUSSCGKSA-N 2 2 309.479 2.320 20 30 DEEDLP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656172486 425722690 /nfs/dbraw/zinc/72/26/90/425722690.db2.gz ZRKFBTRIYVTVAB-MRXNPFEDSA-N 2 2 322.497 2.009 20 30 DEEDLP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656172486 425722692 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C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423019907 527189762 /nfs/dbraw/zinc/18/97/62/527189762.db2.gz XTKOHEILKTXGSJ-QGTPRVQTSA-N 2 2 304.434 2.263 20 30 DEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)c1ccsc1 ZINC000264131914 528269450 /nfs/dbraw/zinc/26/94/50/528269450.db2.gz YEJHFKWRHNSTMK-TZMCWYRMSA-N 2 2 312.483 2.070 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001379135708 1152578939 /nfs/dbraw/zinc/57/89/39/1152578939.db2.gz BNVTVVAZBUBOHS-ZIAGYGMSSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001379135708 1152578941 /nfs/dbraw/zinc/57/89/41/1152578941.db2.gz BNVTVVAZBUBOHS-ZIAGYGMSSA-N 2 2 301.862 2.002 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303542 625330132 /nfs/dbraw/zinc/33/01/32/625330132.db2.gz IHXHNLIDAWTPDI-DLBZAZTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303542 625330140 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HSXOGEKVTHWFGC-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510551 625828855 /nfs/dbraw/zinc/82/88/55/625828855.db2.gz QBYMIYKZUVMGDJ-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510551 625828860 /nfs/dbraw/zinc/82/88/60/625828860.db2.gz QBYMIYKZUVMGDJ-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974647110 633192931 /nfs/dbraw/zinc/19/29/31/633192931.db2.gz QWNRMCRHZHFAAJ-CQSZACIVSA-N 2 2 321.490 2.436 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974647110 633192935 /nfs/dbraw/zinc/19/29/35/633192935.db2.gz QWNRMCRHZHFAAJ-CQSZACIVSA-N 2 2 321.490 2.436 20 30 DEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997218364 633678869 /nfs/dbraw/zinc/67/88/69/633678869.db2.gz ALSIJQZDDGCSKP-OAHLLOKOSA-N 2 2 324.428 2.188 20 30 DEEDLP 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324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053010 649143308 /nfs/dbraw/zinc/14/33/08/649143308.db2.gz JANBVARJTNMKGH-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942532529 649238641 /nfs/dbraw/zinc/23/86/41/649238641.db2.gz NEQMUKDHLGLYLZ-MAUKXSAKSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942532529 649238642 /nfs/dbraw/zinc/23/86/42/649238642.db2.gz NEQMUKDHLGLYLZ-MAUKXSAKSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000852862369 652471995 /nfs/dbraw/zinc/47/19/95/652471995.db2.gz BPHZLMQRYPAYIR-SFHVURJKSA-N 2 2 310.401 2.187 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+](C)C)c1 ZINC000104155457 684058348 /nfs/dbraw/zinc/05/83/48/684058348.db2.gz BTFLPKRZWJHVBQ-YOEHRIQHSA-N 2 2 318.465 2.345 20 30 DEEDLP 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C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205448 693882493 /nfs/dbraw/zinc/88/24/93/693882493.db2.gz RPXZMAGDDPPRNI-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP CCCCCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303791420 685235501 /nfs/dbraw/zinc/23/55/01/685235501.db2.gz XNRCEWRJRNPQJP-HUUCEWRRSA-N 2 2 312.502 2.359 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001054942664 694077451 /nfs/dbraw/zinc/07/74/51/694077451.db2.gz ZLAKRTVSGHDZDC-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015937291 687472445 /nfs/dbraw/zinc/47/24/45/687472445.db2.gz BPIDBZKBGIKKLG-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015937291 687472448 /nfs/dbraw/zinc/47/24/48/687472448.db2.gz BPIDBZKBGIKKLG-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001016666024 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RLBZYFQUDULUBS-WBVHZDCISA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039189600 691044273 /nfs/dbraw/zinc/04/42/73/691044273.db2.gz VNEUOHKCPFUSMZ-INIZCTEOSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039189600 691044275 /nfs/dbraw/zinc/04/42/75/691044275.db2.gz VNEUOHKCPFUSMZ-INIZCTEOSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868513 691294429 /nfs/dbraw/zinc/29/44/29/691294429.db2.gz TWSSTAKXGVRAGI-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242710 691351480 /nfs/dbraw/zinc/35/14/80/691351480.db2.gz ASEQCTWYIQRZBV-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242710 691351485 /nfs/dbraw/zinc/35/14/85/691351485.db2.gz ASEQCTWYIQRZBV-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001041471509 691380898 /nfs/dbraw/zinc/38/08/98/691380898.db2.gz UQSSWNHVDRYJNM-IBGZPJMESA-N 2 2 324.428 2.448 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001041471509 691380901 /nfs/dbraw/zinc/38/09/01/691380901.db2.gz UQSSWNHVDRYJNM-IBGZPJMESA-N 2 2 324.428 2.448 20 30 DEEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000931724049 694464560 /nfs/dbraw/zinc/46/45/60/694464560.db2.gz VTLAYPKQHUDHRU-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000931724049 694464562 /nfs/dbraw/zinc/46/45/62/694464562.db2.gz VTLAYPKQHUDHRU-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000931724049 694464565 /nfs/dbraw/zinc/46/45/65/694464565.db2.gz VTLAYPKQHUDHRU-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000931724049 694464567 /nfs/dbraw/zinc/46/45/67/694464567.db2.gz VTLAYPKQHUDHRU-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001043989252 691755932 /nfs/dbraw/zinc/75/59/32/691755932.db2.gz YRQARXWRJOLFTH-UHFFFAOYSA-N 2 2 304.438 2.115 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001044330421 691807780 /nfs/dbraw/zinc/80/77/80/691807780.db2.gz BMEOXXSGVCVZLK-UHFFFAOYSA-N 2 2 301.434 2.081 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001044581961 691853953 /nfs/dbraw/zinc/85/39/53/691853953.db2.gz VROUMKDQKZKHJZ-OLZOCXBDSA-N 2 2 310.829 2.064 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046485826 692202181 /nfs/dbraw/zinc/20/21/81/692202181.db2.gz DSDYHEZFPWPMMX-INIZCTEOSA-N 2 2 318.808 2.281 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046485826 692202186 /nfs/dbraw/zinc/20/21/86/692202186.db2.gz DSDYHEZFPWPMMX-INIZCTEOSA-N 2 2 318.808 2.281 20 30 DEEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512750 692208869 /nfs/dbraw/zinc/20/88/69/692208869.db2.gz JYJRAOKTCVZBDR-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512750 692208872 /nfs/dbraw/zinc/20/88/72/692208872.db2.gz JYJRAOKTCVZBDR-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049173590 692780468 /nfs/dbraw/zinc/78/04/68/692780468.db2.gz CRQUZKDSWWKXSJ-GASCZTMLSA-N 2 2 316.449 2.044 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049173590 692780470 /nfs/dbraw/zinc/78/04/70/692780470.db2.gz CRQUZKDSWWKXSJ-GASCZTMLSA-N 2 2 316.449 2.044 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867818 693030736 /nfs/dbraw/zinc/03/07/36/693030736.db2.gz PRKIDJKEIMJUMS-IAGOWNOFSA-N 2 2 316.449 2.292 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867818 693030738 /nfs/dbraw/zinc/03/07/38/693030738.db2.gz PRKIDJKEIMJUMS-IAGOWNOFSA-N 2 2 316.449 2.292 20 30 DEEDLP CCO[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C[NH+](C)C ZINC000922756898 693041719 /nfs/dbraw/zinc/04/17/19/693041719.db2.gz QEMHZSBAXBRHHZ-PBHICJAKSA-N 2 2 305.422 2.034 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052489998 693546770 /nfs/dbraw/zinc/54/67/70/693546770.db2.gz SMIPDHOKOXRHAF-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052489998 693546773 /nfs/dbraw/zinc/54/67/73/693546773.db2.gz SMIPDHOKOXRHAF-HNNXBMFYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053056863 693678418 /nfs/dbraw/zinc/67/84/18/693678418.db2.gz FPWYXCZMKMYDAS-IAGOWNOFSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053056863 693678420 /nfs/dbraw/zinc/67/84/20/693678420.db2.gz FPWYXCZMKMYDAS-IAGOWNOFSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001332260353 1149841443 /nfs/dbraw/zinc/84/14/43/1149841443.db2.gz JWMSXWLHEKCPPC-GDBMZVCRSA-N 2 2 312.417 2.317 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001479893860 1151113297 /nfs/dbraw/zinc/11/32/97/1151113297.db2.gz YWMDVDDRBOSZKX-CQSZACIVSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001389359574 1155319397 /nfs/dbraw/zinc/31/93/97/1155319397.db2.gz TZGGFIAKZJCZOS-ZFWWWQNUSA-N 2 2 324.856 2.074 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001373067854 1156850491 /nfs/dbraw/zinc/85/04/91/1156850491.db2.gz VUDDEQOUBRDDMF-JKSUJKDBSA-N 2 2 321.852 2.280 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001373067854 1156850492 /nfs/dbraw/zinc/85/04/92/1156850492.db2.gz VUDDEQOUBRDDMF-JKSUJKDBSA-N 2 2 321.852 2.280 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001403287697 1162839490 /nfs/dbraw/zinc/83/94/90/1162839490.db2.gz NICWQKODBVAGAB-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001403287697 1162839491 /nfs/dbraw/zinc/83/94/91/1162839491.db2.gz NICWQKODBVAGAB-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001403287697 1162839492 /nfs/dbraw/zinc/83/94/92/1162839492.db2.gz NICWQKODBVAGAB-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001403287697 1162839493 /nfs/dbraw/zinc/83/94/93/1162839493.db2.gz NICWQKODBVAGAB-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001403648440 1163072750 /nfs/dbraw/zinc/07/27/50/1163072750.db2.gz XLGRNRNHPRNXEJ-UHFFFAOYSA-N 2 2 315.889 2.299 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001403648440 1163072757 /nfs/dbraw/zinc/07/27/57/1163072757.db2.gz XLGRNRNHPRNXEJ-UHFFFAOYSA-N 2 2 315.889 2.299 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001401298079 1161918829 /nfs/dbraw/zinc/91/88/29/1161918829.db2.gz KQCWRNKWCRTSIS-DZGCQCFKSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418156983 1167447728 /nfs/dbraw/zinc/44/77/28/1167447728.db2.gz VKXHMQIGYDLLAO-AWEZNQCLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418156983 1167447731 /nfs/dbraw/zinc/44/77/31/1167447731.db2.gz VKXHMQIGYDLLAO-AWEZNQCLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001419592840 1168638201 /nfs/dbraw/zinc/63/82/01/1168638201.db2.gz MRRAZYMNXQZMKY-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001419592840 1168638227 /nfs/dbraw/zinc/63/82/27/1168638227.db2.gz MRRAZYMNXQZMKY-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419609067 1168668360 /nfs/dbraw/zinc/66/83/60/1168668360.db2.gz OJHOXTPFEDOQJZ-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419609067 1168668384 /nfs/dbraw/zinc/66/83/84/1168668384.db2.gz OJHOXTPFEDOQJZ-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001419609067 1168668401 /nfs/dbraw/zinc/66/84/01/1168668401.db2.gz OJHOXTPFEDOQJZ-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001419609067 1168668419 /nfs/dbraw/zinc/66/84/19/1168668419.db2.gz OJHOXTPFEDOQJZ-DZGCQCFKSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001422919492 1172932486 /nfs/dbraw/zinc/93/24/86/1172932486.db2.gz PSEKFROQVGVZOT-GDBMZVCRSA-N 2 2 323.868 2.478 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001423584149 1173429046 /nfs/dbraw/zinc/42/90/46/1173429046.db2.gz XUPAWCKVNBGBQW-UHFFFAOYSA-N 2 2 312.845 2.113 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001423584149 1173429050 /nfs/dbraw/zinc/42/90/50/1173429050.db2.gz XUPAWCKVNBGBQW-UHFFFAOYSA-N 2 2 312.845 2.113 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437903466 1180061106 /nfs/dbraw/zinc/06/11/06/1180061106.db2.gz ITSFHMPYQQMHKP-LSDHHAIUSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437903466 1180061113 /nfs/dbraw/zinc/06/11/13/1180061113.db2.gz ITSFHMPYQQMHKP-LSDHHAIUSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437903466 1180061127 /nfs/dbraw/zinc/06/11/27/1180061127.db2.gz ITSFHMPYQQMHKP-LSDHHAIUSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437903466 1180061135 /nfs/dbraw/zinc/06/11/35/1180061135.db2.gz ITSFHMPYQQMHKP-LSDHHAIUSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001439348910 1181036568 /nfs/dbraw/zinc/03/65/68/1181036568.db2.gz KJFBAJGISLLGAG-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001439348910 1181036571 /nfs/dbraw/zinc/03/65/71/1181036571.db2.gz KJFBAJGISLLGAG-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001439348910 1181036577 /nfs/dbraw/zinc/03/65/77/1181036577.db2.gz KJFBAJGISLLGAG-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001439348910 1181036581 /nfs/dbraw/zinc/03/65/81/1181036581.db2.gz KJFBAJGISLLGAG-CABCVRRESA-N 2 2 315.889 2.296 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001479893860 1151113301 /nfs/dbraw/zinc/11/33/01/1151113301.db2.gz YWMDVDDRBOSZKX-CQSZACIVSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655710 782833522 /nfs/dbraw/zinc/83/35/22/782833522.db2.gz ZXDNZWJNQJTZRM-KFWWJZLASA-N 2 2 316.449 2.090 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569214 783218573 /nfs/dbraw/zinc/21/85/73/783218573.db2.gz SXUSDWASVBLCNP-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569214 783218583 /nfs/dbraw/zinc/21/85/83/783218583.db2.gz SXUSDWASVBLCNP-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665193 778004999 /nfs/dbraw/zinc/00/49/99/778004999.db2.gz PMZGZYKXQBNZHX-KFWWJZLASA-N 2 2 316.449 2.090 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317050 779281528 /nfs/dbraw/zinc/28/15/28/779281528.db2.gz FJEYIHXATLVXEE-AEFFLSMTSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317050 779281534 /nfs/dbraw/zinc/28/15/34/779281534.db2.gz FJEYIHXATLVXEE-AEFFLSMTSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720326 779423085 /nfs/dbraw/zinc/42/30/85/779423085.db2.gz OSWPEOZJOXUZLY-IJEWVQPXSA-N 2 2 316.449 2.375 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720326 779423088 /nfs/dbraw/zinc/42/30/88/779423088.db2.gz OSWPEOZJOXUZLY-IJEWVQPXSA-N 2 2 316.449 2.375 20 30 DEEDLP C[C@@H]1CC(N2CC[NH2+]C[C@@H]2C#N)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045435 779629580 /nfs/dbraw/zinc/62/95/80/779629580.db2.gz JSQLOUVOFSBHOT-MDZRGWNJSA-N 2 2 312.461 2.225 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777424 780974743 /nfs/dbraw/zinc/97/47/43/780974743.db2.gz XMTKKAYQYUBISN-QAPCUYQASA-N 2 2 322.412 2.088 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777424 780974747 /nfs/dbraw/zinc/97/47/47/780974747.db2.gz XMTKKAYQYUBISN-QAPCUYQASA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657571 783329618 /nfs/dbraw/zinc/32/96/18/783329618.db2.gz FCUKSZNCGVWQMY-OAHLLOKOSA-N 2 2 324.428 2.417 20 30 DEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657571 783329634 /nfs/dbraw/zinc/32/96/34/783329634.db2.gz FCUKSZNCGVWQMY-OAHLLOKOSA-N 2 2 324.428 2.417 20 30 DEEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085918447 784211834 /nfs/dbraw/zinc/21/18/34/784211834.db2.gz DFGWTBLWVOBFNY-MSOLQXFVSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918447 784211837 /nfs/dbraw/zinc/21/18/37/784211837.db2.gz DFGWTBLWVOBFNY-MSOLQXFVSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918447 784211845 /nfs/dbraw/zinc/21/18/45/784211845.db2.gz DFGWTBLWVOBFNY-MSOLQXFVSA-N 2 2 319.493 2.197 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918447 784211847 /nfs/dbraw/zinc/21/18/47/784211847.db2.gz DFGWTBLWVOBFNY-MSOLQXFVSA-N 2 2 319.493 2.197 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497978 784426718 /nfs/dbraw/zinc/42/67/18/784426718.db2.gz UNFVRQRDLFPLNK-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497978 784426727 /nfs/dbraw/zinc/42/67/27/784426727.db2.gz UNFVRQRDLFPLNK-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)C ZINC000968892894 784639485 /nfs/dbraw/zinc/63/94/85/784639485.db2.gz DPPBOGPTXAZBJI-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)C ZINC000968892894 784639490 /nfs/dbraw/zinc/63/94/90/784639490.db2.gz DPPBOGPTXAZBJI-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(=C)C ZINC000968892894 784639493 /nfs/dbraw/zinc/63/94/93/784639493.db2.gz DPPBOGPTXAZBJI-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(=C)C ZINC000968892894 784639499 /nfs/dbraw/zinc/63/94/99/784639499.db2.gz DPPBOGPTXAZBJI-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C=C(Cl)C[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022776 786070664 /nfs/dbraw/zinc/07/06/64/786070664.db2.gz HCMRKNRPEOZODM-UHFFFAOYSA-N 2 2 318.808 2.334 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919946 788227854 /nfs/dbraw/zinc/22/78/54/788227854.db2.gz PBQWNGQBKZGPHX-GOEBONIOSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132997109 788251397 /nfs/dbraw/zinc/25/13/97/788251397.db2.gz GHKIMJDHPXGAQP-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133271588 788345298 /nfs/dbraw/zinc/34/52/98/788345298.db2.gz QJJDQVCAGKXPAZ-ZBFHGGJFSA-N 2 2 318.465 2.301 20 30 DEEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403835 788905068 /nfs/dbraw/zinc/90/50/68/788905068.db2.gz UUWFOBQNOHBUMI-CABCVRRESA-N 2 2 318.465 2.211 20 30 DEEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097945 789197098 /nfs/dbraw/zinc/19/70/98/789197098.db2.gz RZIYSBPJPXAOCW-HZPDHXFCSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010457 791664870 /nfs/dbraw/zinc/66/48/70/791664870.db2.gz DSHDXQFSIWGCQE-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010457 791664875 /nfs/dbraw/zinc/66/48/75/791664875.db2.gz DSHDXQFSIWGCQE-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357381 791741362 /nfs/dbraw/zinc/74/13/62/791741362.db2.gz LUNNOOIZYJPCOY-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357381 791741364 /nfs/dbraw/zinc/74/13/64/791741364.db2.gz LUNNOOIZYJPCOY-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359734 791869934 /nfs/dbraw/zinc/86/99/34/791869934.db2.gz UIPGZMRRPDJMMR-RBSFLKMASA-N 2 2 304.438 2.354 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359734 791869937 /nfs/dbraw/zinc/86/99/37/791869937.db2.gz UIPGZMRRPDJMMR-RBSFLKMASA-N 2 2 304.438 2.354 20 30 DEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001101590304 793254179 /nfs/dbraw/zinc/25/41/79/793254179.db2.gz KENJJMLZROSZMD-UHFFFAOYSA-N 2 2 318.465 2.003 20 30 DEEDLP COCCC[NH+]1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001172252954 793390247 /nfs/dbraw/zinc/39/02/47/793390247.db2.gz XWJOVQHTPCQIIW-UHFFFAOYSA-N 2 2 313.445 2.417 20 30 DEEDLP COCCC[NH+]1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001172252954 793390251 /nfs/dbraw/zinc/39/02/51/793390251.db2.gz XWJOVQHTPCQIIW-UHFFFAOYSA-N 2 2 313.445 2.417 20 30 DEEDLP C=CCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566969 794823969 /nfs/dbraw/zinc/82/39/69/794823969.db2.gz HSMZHNFZNUFNJR-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C=CCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566969 794823976 /nfs/dbraw/zinc/82/39/76/794823976.db2.gz HSMZHNFZNUFNJR-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752825 794908998 /nfs/dbraw/zinc/90/89/98/794908998.db2.gz XBOIAOWQEBVOKC-MRXNPFEDSA-N 2 2 316.449 2.266 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115767313 794913382 /nfs/dbraw/zinc/91/33/82/794913382.db2.gz HQAYOEVKBBLRDR-OAHLLOKOSA-N 2 2 316.449 2.020 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115767313 794913393 /nfs/dbraw/zinc/91/33/93/794913393.db2.gz HQAYOEVKBBLRDR-OAHLLOKOSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141950 795062590 /nfs/dbraw/zinc/06/25/90/795062590.db2.gz VQIAISZPJLBTMM-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622313 795149316 /nfs/dbraw/zinc/14/93/16/795149316.db2.gz JKGZJCJJAFUVBT-PMPSAXMXSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180387031 795286216 /nfs/dbraw/zinc/28/62/16/795286216.db2.gz IQSDXJBNWWSGEF-QGZVFWFLSA-N 2 2 318.465 2.137 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120084195 795403815 /nfs/dbraw/zinc/40/38/15/795403815.db2.gz DXTLVHNQTPBIGO-UHFFFAOYSA-N 2 2 318.465 2.338 20 30 DEEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116177 795606417 /nfs/dbraw/zinc/60/64/17/795606417.db2.gz HFMFMMIHODXITC-DNVCBOLYSA-N 2 2 324.428 2.045 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496971 795881593 /nfs/dbraw/zinc/88/15/93/795881593.db2.gz RSTDEQAPDWIBSB-CVEARBPZSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183495621 795881711 /nfs/dbraw/zinc/88/17/11/795881711.db2.gz BIBWTQZWYOXKLT-HZPDHXFCSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184652556 796100393 /nfs/dbraw/zinc/10/03/93/796100393.db2.gz NGIZKSBOBLVWFZ-ZIAGYGMSSA-N 2 2 312.417 2.437 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184652554 796100535 /nfs/dbraw/zinc/10/05/35/796100535.db2.gz NGIZKSBOBLVWFZ-UONOGXRCSA-N 2 2 312.417 2.437 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185493063 796270733 /nfs/dbraw/zinc/27/07/33/796270733.db2.gz SHQYKXZOBLWPPI-HUUCEWRRSA-N 2 2 318.465 2.338 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091650 796487104 /nfs/dbraw/zinc/48/71/04/796487104.db2.gz JTFFUGUKXAELCN-ZIAGYGMSSA-N 2 2 304.438 2.233 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014870 796492237 /nfs/dbraw/zinc/49/22/37/796492237.db2.gz SBDHJBIGCNZRCQ-JKSUJKDBSA-N 2 2 316.449 2.326 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014870 796492242 /nfs/dbraw/zinc/49/22/42/796492242.db2.gz SBDHJBIGCNZRCQ-JKSUJKDBSA-N 2 2 316.449 2.326 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187715069 796567496 /nfs/dbraw/zinc/56/74/96/796567496.db2.gz YTDPNDUOBHWZPK-HRCADAONSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187715069 796567499 /nfs/dbraw/zinc/56/74/99/796567499.db2.gz YTDPNDUOBHWZPK-HRCADAONSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478012 797343709 /nfs/dbraw/zinc/34/37/09/797343709.db2.gz UDCFXAFPRUDJQP-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478012 797343715 /nfs/dbraw/zinc/34/37/15/797343715.db2.gz UDCFXAFPRUDJQP-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550894 797405002 /nfs/dbraw/zinc/40/50/02/797405002.db2.gz LUWNBNBJXLOZJJ-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550894 797405005 /nfs/dbraw/zinc/40/50/05/797405005.db2.gz LUWNBNBJXLOZJJ-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083179 797458629 /nfs/dbraw/zinc/45/86/29/797458629.db2.gz LDSAHLXJTYDSOK-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083179 797458634 /nfs/dbraw/zinc/45/86/34/797458634.db2.gz LDSAHLXJTYDSOK-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696060 797613850 /nfs/dbraw/zinc/61/38/50/797613850.db2.gz PNYHMSLGHOCBBR-UKRRQHHQSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696060 797613854 /nfs/dbraw/zinc/61/38/54/797613854.db2.gz PNYHMSLGHOCBBR-UKRRQHHQSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449397 797726480 /nfs/dbraw/zinc/72/64/80/797726480.db2.gz SFSBADPHVQMDCE-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449397 797726484 /nfs/dbraw/zinc/72/64/84/797726484.db2.gz SFSBADPHVQMDCE-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP N#Cc1ccc2cc[nH+]c(NCC[C@@H]3CCOC34C[NH2+]C4)c2c1 ZINC001155478431 797768473 /nfs/dbraw/zinc/76/84/73/797768473.db2.gz UQHOWQCFYBVFDX-OAHLLOKOSA-N 2 2 308.385 2.287 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155752141 797841113 /nfs/dbraw/zinc/84/11/13/797841113.db2.gz YYJDPTANQPIFJU-LSDHHAIUSA-N 2 2 306.454 2.381 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155752141 797841120 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C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319620016 1140626435 /nfs/dbraw/zinc/62/64/35/1140626435.db2.gz MJOIHIBGBZLAHW-CVEARBPZSA-N 2 2 318.465 2.142 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246034379 1140851431 /nfs/dbraw/zinc/85/14/31/1140851431.db2.gz NGKULFRCPUHBDT-IRXDYDNUSA-N 2 2 300.487 2.144 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246034379 1140851433 /nfs/dbraw/zinc/85/14/33/1140851433.db2.gz NGKULFRCPUHBDT-IRXDYDNUSA-N 2 2 300.487 2.144 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278432662 1140864646 /nfs/dbraw/zinc/86/46/46/1140864646.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278432662 1140864648 /nfs/dbraw/zinc/86/46/48/1140864648.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278432662 1140864656 /nfs/dbraw/zinc/86/46/56/1140864656.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278432662 1140864657 /nfs/dbraw/zinc/86/46/57/1140864657.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001322343813 1141535492 /nfs/dbraw/zinc/53/54/92/1141535492.db2.gz ANOPRMCRFGZRAJ-HOTGVXAUSA-N 2 2 304.438 2.114 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001323146499 1141817781 /nfs/dbraw/zinc/81/77/81/1141817781.db2.gz CFWNMITUTPUQAX-GOEBONIOSA-N 2 2 324.428 2.417 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001324200367 1142029423 /nfs/dbraw/zinc/02/94/23/1142029423.db2.gz PRSOELMGCCRAAS-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227610 1144672552 /nfs/dbraw/zinc/67/25/52/1144672552.db2.gz 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DEEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265288590 1144684018 /nfs/dbraw/zinc/68/40/18/1144684018.db2.gz WYLULZICGVGFJR-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265288590 1144684021 /nfs/dbraw/zinc/68/40/21/1144684021.db2.gz WYLULZICGVGFJR-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001284095751 1145796629 /nfs/dbraw/zinc/79/66/29/1145796629.db2.gz JGJOKPMHQZNKIP-HYVNUMGLSA-N 2 2 316.449 2.135 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3O4)CC2)cc1 ZINC001365511922 1145884065 /nfs/dbraw/zinc/88/40/65/1145884065.db2.gz XBBBHXNKWZQUBD-IPMKNSEASA-N 2 2 311.429 2.432 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001325413672 1147902954 /nfs/dbraw/zinc/90/29/54/1147902954.db2.gz CBFNQXLBUDCDPN-CVEARBPZSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001368104781 1148228266 /nfs/dbraw/zinc/22/82/66/1148228266.db2.gz WYYJAIHLXYJROO-ZDUSSCGKSA-N 2 2 318.808 2.281 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000330220088 539935495 /nfs/dbraw/zinc/93/54/95/539935495.db2.gz KQCQTRUNMKOLGN-INWMFGNUSA-N 2 2 318.421 2.224 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000330220088 539935496 /nfs/dbraw/zinc/93/54/96/539935496.db2.gz KQCQTRUNMKOLGN-INWMFGNUSA-N 2 2 318.421 2.224 20 30 DEEDLP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1C[C@H]1C ZINC000083877294 355471173 /nfs/dbraw/zinc/47/11/73/355471173.db2.gz SENATRPRQHIAAC-DOMZBBRYSA-N 2 2 315.396 2.475 20 30 DEEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000088717148 355518402 /nfs/dbraw/zinc/51/84/02/355518402.db2.gz HQCFJVCTDREMTK-APWZRJJASA-N 2 2 312.461 2.399 20 30 DEEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000088717148 355518404 /nfs/dbraw/zinc/51/84/04/355518404.db2.gz HQCFJVCTDREMTK-APWZRJJASA-N 2 2 312.461 2.399 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866530 357770716 /nfs/dbraw/zinc/77/07/16/357770716.db2.gz BMNGDPSLBPIFBC-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866530 357770719 /nfs/dbraw/zinc/77/07/19/357770719.db2.gz BMNGDPSLBPIFBC-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602462641 360385114 /nfs/dbraw/zinc/38/51/14/360385114.db2.gz NTRJQPUQPHXKDU-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602462641 360385118 /nfs/dbraw/zinc/38/51/18/360385118.db2.gz NTRJQPUQPHXKDU-MRXNPFEDSA-N 2 2 317.433 2.132 20 30 DEEDLP CC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271855731 209271292 /nfs/dbraw/zinc/27/12/92/209271292.db2.gz JFUYSBLNGIQYCW-SFHVURJKSA-N 2 2 301.434 2.273 20 30 DEEDLP C=CCOc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000623836980 365191657 /nfs/dbraw/zinc/19/16/57/365191657.db2.gz SGQGBUJVHLGAEC-AWEZNQCLSA-N 2 2 310.825 2.061 20 30 DEEDLP C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000623836980 365191662 /nfs/dbraw/zinc/19/16/62/365191662.db2.gz SGQGBUJVHLGAEC-AWEZNQCLSA-N 2 2 310.825 2.061 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630941831 367923857 /nfs/dbraw/zinc/92/38/57/367923857.db2.gz GPMHJLSVKUJBRM-UHFFFAOYSA-N 2 2 310.401 2.457 20 30 DEEDLP CCOCCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000127808248 401750923 /nfs/dbraw/zinc/75/09/23/401750923.db2.gz XDUXDKVRZPYQRV-UHFFFAOYSA-N 2 2 305.422 2.346 20 30 DEEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000109786411 402276231 /nfs/dbraw/zinc/27/62/31/402276231.db2.gz JEGXWQPESDOOCJ-UHFFFAOYSA-N 2 2 314.433 2.303 20 30 DEEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000109786411 402276232 /nfs/dbraw/zinc/27/62/32/402276232.db2.gz JEGXWQPESDOOCJ-UHFFFAOYSA-N 2 2 314.433 2.303 20 30 DEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000177066948 402366416 /nfs/dbraw/zinc/36/64/16/402366416.db2.gz LJVOXLXSGKMWBF-QGZVFWFLSA-N 2 2 324.384 2.306 20 30 DEEDLP CO[C@@H](C)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000181604131 402651540 /nfs/dbraw/zinc/65/15/40/402651540.db2.gz HFSHDPVLOHWTRR-AWEZNQCLSA-N 2 2 305.422 2.344 20 30 DEEDLP CCNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000274516937 403063178 /nfs/dbraw/zinc/06/31/78/403063178.db2.gz WKNYIVCOGBUSME-LBPRGKRZSA-N 2 2 302.344 2.232 20 30 DEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000270961110 403245821 /nfs/dbraw/zinc/24/58/21/403245821.db2.gz AVGKENACFVIBFW-ZTFGCOKTSA-N 2 2 310.401 2.371 20 30 DEEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000270961110 403245823 /nfs/dbraw/zinc/24/58/23/403245823.db2.gz AVGKENACFVIBFW-ZTFGCOKTSA-N 2 2 310.401 2.371 20 30 DEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327641 404060061 /nfs/dbraw/zinc/06/00/61/404060061.db2.gz RKBIWPWLDHHUTG-SOLBZPMBSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327641 404060065 /nfs/dbraw/zinc/06/00/65/404060065.db2.gz RKBIWPWLDHHUTG-SOLBZPMBSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327641 404060069 /nfs/dbraw/zinc/06/00/69/404060069.db2.gz RKBIWPWLDHHUTG-SOLBZPMBSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327641 404060070 /nfs/dbraw/zinc/06/00/70/404060070.db2.gz RKBIWPWLDHHUTG-SOLBZPMBSA-N 2 2 322.497 2.093 20 30 DEEDLP CC(C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353499162 404848524 /nfs/dbraw/zinc/84/85/24/404848524.db2.gz UALNRCZRPVFAKS-UHFFFAOYSA-N 2 2 300.450 2.457 20 30 DEEDLP CC(C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353499162 404848527 /nfs/dbraw/zinc/84/85/27/404848527.db2.gz UALNRCZRPVFAKS-UHFFFAOYSA-N 2 2 300.450 2.457 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354043746 405017737 /nfs/dbraw/zinc/01/77/37/405017737.db2.gz ZRSMBISVFCTYIA-PBHICJAKSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354043746 405017739 /nfs/dbraw/zinc/01/77/39/405017739.db2.gz ZRSMBISVFCTYIA-PBHICJAKSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354043747 405017922 /nfs/dbraw/zinc/01/79/22/405017922.db2.gz ZRSMBISVFCTYIA-RHSMWYFYSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354043747 405017926 /nfs/dbraw/zinc/01/79/26/405017926.db2.gz ZRSMBISVFCTYIA-RHSMWYFYSA-N 2 2 318.490 2.078 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226921 404982928 /nfs/dbraw/zinc/98/29/28/404982928.db2.gz DFQCPNHLSDAQFU-PKOBYXMFSA-N 3 2 323.525 2.363 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226921 404982930 /nfs/dbraw/zinc/98/29/30/404982930.db2.gz DFQCPNHLSDAQFU-PKOBYXMFSA-N 3 2 323.525 2.363 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420403240 405344644 /nfs/dbraw/zinc/34/46/44/405344644.db2.gz KXYFPDHUJOKOJJ-BBRMVZONSA-N 2 2 303.450 2.390 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420403240 405344645 /nfs/dbraw/zinc/34/46/45/405344645.db2.gz KXYFPDHUJOKOJJ-BBRMVZONSA-N 2 2 303.450 2.390 20 30 DEEDLP CC[C@H](CC#N)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000566982413 406093093 /nfs/dbraw/zinc/09/30/93/406093093.db2.gz VPWFFIMEEGGMCS-QGZVFWFLSA-N 2 2 300.450 2.481 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982855 406343443 /nfs/dbraw/zinc/34/34/43/406343443.db2.gz JPYKNTHYEXAEFD-UHFFFAOYSA-N 2 2 305.466 2.137 20 30 DEEDLP C[NH+]1CCC2(CC1)C[N@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000646106335 406783308 /nfs/dbraw/zinc/78/33/08/406783308.db2.gz VHBXJPJVWVMPAX-UHFFFAOYSA-N 2 2 318.848 2.488 20 30 DEEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC#Cc1cccc(Cl)c1)CCO2 ZINC000646106335 406783312 /nfs/dbraw/zinc/78/33/12/406783312.db2.gz VHBXJPJVWVMPAX-UHFFFAOYSA-N 2 2 318.848 2.488 20 30 DEEDLP COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1C#N ZINC000351571060 425040210 /nfs/dbraw/zinc/04/02/10/425040210.db2.gz RPCGHIYODSZQLC-UHFFFAOYSA-N 2 2 319.368 2.819 20 30 DEEDLP C=CC[C@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662672043 425708303 /nfs/dbraw/zinc/70/83/03/425708303.db2.gz VCVSBAIQOVLMEF-LJQANCHMSA-N 2 2 324.428 2.246 20 30 DEEDLP C#CC[N@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000294865290 275380871 /nfs/dbraw/zinc/38/08/71/275380871.db2.gz CHESGLWPCDKVBA-INIZCTEOSA-N 2 2 300.381 2.183 20 30 DEEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000294865290 275380872 /nfs/dbraw/zinc/38/08/72/275380872.db2.gz CHESGLWPCDKVBA-INIZCTEOSA-N 2 2 300.381 2.183 20 30 DEEDLP N#CCC[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000582541696 337106945 /nfs/dbraw/zinc/10/69/45/337106945.db2.gz GLMYOTWQBDPXJH-UHFFFAOYSA-N 2 2 306.841 2.355 20 30 DEEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001369578195 1149048885 /nfs/dbraw/zinc/04/88/85/1149048885.db2.gz WMYYVVQXYQMGKI-ZDUSSCGKSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001399830536 1161582536 /nfs/dbraw/zinc/58/25/36/1161582536.db2.gz YIKAQXYSQKACCU-INIZCTEOSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001399830536 1161582540 /nfs/dbraw/zinc/58/25/40/1161582540.db2.gz YIKAQXYSQKACCU-INIZCTEOSA-N 2 2 323.868 2.480 20 30 DEEDLP C[NH+]=C(NCC(C)(C)SC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262026522 526348223 /nfs/dbraw/zinc/34/82/23/526348223.db2.gz ZUVNFTWTQROQQT-KBPBESRZSA-N 2 2 323.510 2.483 20 30 DEEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000337136592 526478322 /nfs/dbraw/zinc/47/83/22/526478322.db2.gz NILXZNGDOIWJHN-ZWKOTPCHSA-N 2 2 319.493 2.217 20 30 DEEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000337136592 526478325 /nfs/dbraw/zinc/47/83/25/526478325.db2.gz NILXZNGDOIWJHN-ZWKOTPCHSA-N 2 2 319.493 2.217 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000295009583 526826906 /nfs/dbraw/zinc/82/69/06/526826906.db2.gz MPOGCPQWLHMOFX-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000295009583 526826911 /nfs/dbraw/zinc/82/69/11/526826911.db2.gz MPOGCPQWLHMOFX-GFCCVEGCSA-N 2 2 310.239 2.450 20 30 DEEDLP C=CCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422010255 527102620 /nfs/dbraw/zinc/10/26/20/527102620.db2.gz BWCGMYAHKFISLF-UHFFFAOYSA-N 2 2 307.482 2.361 20 30 DEEDLP C=CCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422010255 527102627 /nfs/dbraw/zinc/10/26/27/527102627.db2.gz BWCGMYAHKFISLF-UHFFFAOYSA-N 2 2 307.482 2.361 20 30 DEEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCc2ccccc21 ZINC000262431154 528806341 /nfs/dbraw/zinc/80/63/41/528806341.db2.gz SLBZJYNKUQPYGR-UHFFFAOYSA-N 2 2 318.490 2.063 20 30 DEEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CC[C@@]2(CCOC2)C1 ZINC000261972170 528807538 /nfs/dbraw/zinc/80/75/38/528807538.db2.gz NCJKJMBEVRGZIX-GOSISDBHSA-N 2 2 316.449 2.010 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001026312045 625289213 /nfs/dbraw/zinc/28/92/13/625289213.db2.gz PGRGCOFWCLQZCC-ARFHVFGLSA-N 2 2 324.428 2.351 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585511 625333565 /nfs/dbraw/zinc/33/35/65/625333565.db2.gz GBBDNISAFRPJOQ-CABCVRRESA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585511 625333567 /nfs/dbraw/zinc/33/35/67/625333567.db2.gz GBBDNISAFRPJOQ-CABCVRRESA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969797152 622924893 /nfs/dbraw/zinc/92/48/93/622924893.db2.gz NNFUCGKFAMCAMY-ZFWWWQNUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969797152 622924897 /nfs/dbraw/zinc/92/48/97/622924897.db2.gz NNFUCGKFAMCAMY-ZFWWWQNUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645755 623895043 /nfs/dbraw/zinc/89/50/43/623895043.db2.gz MNKCULDOYYGCKS-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645755 623895054 /nfs/dbraw/zinc/89/50/54/623895054.db2.gz MNKCULDOYYGCKS-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979993685 634817430 /nfs/dbraw/zinc/81/74/30/634817430.db2.gz WFLMCDBKTABNPO-NUEKZKHPSA-N 2 2 322.412 2.026 20 30 DEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979993685 634817433 /nfs/dbraw/zinc/81/74/33/634817433.db2.gz WFLMCDBKTABNPO-NUEKZKHPSA-N 2 2 322.412 2.026 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913947 634956015 /nfs/dbraw/zinc/95/60/15/634956015.db2.gz QBLPMCBPLPLOPY-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913947 634956017 /nfs/dbraw/zinc/95/60/17/634956017.db2.gz QBLPMCBPLPLOPY-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027942359 635029848 /nfs/dbraw/zinc/02/98/48/635029848.db2.gz BTRBIIKTANSVCW-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027942359 635029853 /nfs/dbraw/zinc/02/98/53/635029853.db2.gz BTRBIIKTANSVCW-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942359 635029856 /nfs/dbraw/zinc/02/98/56/635029856.db2.gz BTRBIIKTANSVCW-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942359 635029861 /nfs/dbraw/zinc/02/98/61/635029861.db2.gz BTRBIIKTANSVCW-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029409 635302680 /nfs/dbraw/zinc/30/26/80/635302680.db2.gz XDOFXAALKDDIBO-CQSZACIVSA-N 2 2 318.808 2.281 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029409 635302692 /nfs/dbraw/zinc/30/26/92/635302692.db2.gz XDOFXAALKDDIBO-CQSZACIVSA-N 2 2 318.808 2.281 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098618 635514239 /nfs/dbraw/zinc/51/42/39/635514239.db2.gz SWAYQYVKWPKNAC-KKUMJFAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098618 635514241 /nfs/dbraw/zinc/51/42/41/635514241.db2.gz SWAYQYVKWPKNAC-KKUMJFAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098618 635514246 /nfs/dbraw/zinc/51/42/46/635514246.db2.gz SWAYQYVKWPKNAC-KKUMJFAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098618 635514249 /nfs/dbraw/zinc/51/42/49/635514249.db2.gz SWAYQYVKWPKNAC-KKUMJFAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542040 636327602 /nfs/dbraw/zinc/32/76/02/636327602.db2.gz KIIPYRXWFJSPPS-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542040 636327605 /nfs/dbraw/zinc/32/76/05/636327605.db2.gz KIIPYRXWFJSPPS-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004578341 636492364 /nfs/dbraw/zinc/49/23/64/636492364.db2.gz JGAPVOQMDKCMGO-KRWDZBQOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004578341 636492369 /nfs/dbraw/zinc/49/23/69/636492369.db2.gz JGAPVOQMDKCMGO-KRWDZBQOSA-N 2 2 316.449 2.231 20 30 DEEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000894874319 637281001 /nfs/dbraw/zinc/28/10/01/637281001.db2.gz UGJUJJZVDMUEAH-UHFFFAOYSA-N 2 2 314.429 2.175 20 30 DEEDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902786404 643144942 /nfs/dbraw/zinc/14/49/42/643144942.db2.gz OGSMMRNOXORGIR-AWEZNQCLSA-N 2 2 302.422 2.105 20 30 DEEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005713 643221755 /nfs/dbraw/zinc/22/17/55/643221755.db2.gz YKGJPDKODCZYOD-ZWKOTPCHSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005713 643221757 /nfs/dbraw/zinc/22/17/57/643221757.db2.gz YKGJPDKODCZYOD-ZWKOTPCHSA-N 2 2 301.434 2.446 20 30 DEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903975110 643531640 /nfs/dbraw/zinc/53/16/40/643531640.db2.gz XTGBXXUSHUVDQL-QGZVFWFLSA-N 2 2 316.445 2.500 20 30 DEEDLP 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318.465 2.290 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480085878 1062299601 /nfs/dbraw/zinc/29/96/01/1062299601.db2.gz UNJPDOLGNUGHDD-JKSUJKDBSA-N 2 2 318.465 2.335 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480085878 1062299620 /nfs/dbraw/zinc/29/96/20/1062299620.db2.gz UNJPDOLGNUGHDD-JKSUJKDBSA-N 2 2 318.465 2.335 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480085878 1062299638 /nfs/dbraw/zinc/29/96/38/1062299638.db2.gz UNJPDOLGNUGHDD-JKSUJKDBSA-N 2 2 318.465 2.335 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480085878 1062299660 /nfs/dbraw/zinc/29/96/60/1062299660.db2.gz UNJPDOLGNUGHDD-JKSUJKDBSA-N 2 2 318.465 2.335 20 30 DEEDLP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001506929247 1062541213 /nfs/dbraw/zinc/54/12/13/1062541213.db2.gz RTUZZEXJJCMLJS-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001507287245 1063035437 /nfs/dbraw/zinc/03/54/37/1063035437.db2.gz VQIAISZPJLBTMM-CABCVRRESA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480674767 1063174008 /nfs/dbraw/zinc/17/40/08/1063174008.db2.gz WORFRLJMLPVCGH-AWEZNQCLSA-N 2 2 304.438 2.092 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001507381910 1063199415 /nfs/dbraw/zinc/19/94/15/1063199415.db2.gz DASHNRDXSNRFER-RDJZCZTQSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001507381910 1063199425 /nfs/dbraw/zinc/19/94/25/1063199425.db2.gz DASHNRDXSNRFER-RDJZCZTQSA-N 2 2 318.465 2.288 20 30 DEEDLP CC#CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001568039238 1064611917 /nfs/dbraw/zinc/61/19/17/1064611917.db2.gz MCRYTMMZRUZRHT-YJBOKZPZSA-N 2 2 316.449 2.020 20 30 DEEDLP CC#CC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCC[C@@H]1C ZINC001568039238 1064611928 /nfs/dbraw/zinc/61/19/28/1064611928.db2.gz MCRYTMMZRUZRHT-YJBOKZPZSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001568113806 1064654208 /nfs/dbraw/zinc/65/42/08/1064654208.db2.gz XUXXOQVGMDCFMW-WKILWMFISA-N 2 2 318.465 2.336 20 30 DEEDLP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568330440 1064781581 /nfs/dbraw/zinc/78/15/81/1064781581.db2.gz AHLOSKILTHJOOT-INIZCTEOSA-N 2 2 318.465 2.070 20 30 DEEDLP C=CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001568451944 1064882225 /nfs/dbraw/zinc/88/22/25/1064882225.db2.gz ZYVOJUAWPKAWAC-OAHLLOKOSA-N 2 2 300.406 2.173 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001495482438 1064936975 /nfs/dbraw/zinc/93/69/75/1064936975.db2.gz URRUPNRQVZBPOW-BZUAXINKSA-N 2 2 304.438 2.255 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001568542137 1064953920 /nfs/dbraw/zinc/95/39/20/1064953920.db2.gz ZMMNFZDIAKHKBR-CABCVRRESA-N 2 2 304.438 2.101 20 30 DEEDLP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496063234 1065258217 /nfs/dbraw/zinc/25/82/17/1065258217.db2.gz FIHZGJGETAWXIU-HNNXBMFYSA-N 2 2 318.465 2.165 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001496278337 1065380618 /nfs/dbraw/zinc/38/06/18/1065380618.db2.gz HZLCUKGNAJFEIN-CVEARBPZSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001569576092 1065603848 /nfs/dbraw/zinc/60/38/48/1065603848.db2.gz HKUURFNTNHHORB-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001569576092 1065603854 /nfs/dbraw/zinc/60/38/54/1065603854.db2.gz HKUURFNTNHHORB-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001569987828 1065863517 /nfs/dbraw/zinc/86/35/17/1065863517.db2.gz SUAOILDYPOTZDR-DLBZAZTESA-N 2 2 318.465 2.485 20 30 DEEDLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)ON 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DWGYIHMKRLLEIL-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(C)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001571650818 1068459909 /nfs/dbraw/zinc/45/99/09/1068459909.db2.gz GLHWSQXSGDTDIO-UHFFFAOYSA-N 2 2 315.461 2.323 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001483657291 1078758072 /nfs/dbraw/zinc/75/80/72/1078758072.db2.gz GPRVHGWFYLQRGZ-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001483657291 1078758077 /nfs/dbraw/zinc/75/80/77/1078758077.db2.gz GPRVHGWFYLQRGZ-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001483657291 1078758083 /nfs/dbraw/zinc/75/80/83/1078758083.db2.gz GPRVHGWFYLQRGZ-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001483657291 1078758089 /nfs/dbraw/zinc/75/80/89/1078758089.db2.gz GPRVHGWFYLQRGZ-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267566903 1079001542 /nfs/dbraw/zinc/00/15/42/1079001542.db2.gz JOTFEKBGLXFKDF-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267566903 1079001549 /nfs/dbraw/zinc/00/15/49/1079001549.db2.gz JOTFEKBGLXFKDF-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267566903 1079001555 /nfs/dbraw/zinc/00/15/55/1079001555.db2.gz JOTFEKBGLXFKDF-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267566903 1079001561 /nfs/dbraw/zinc/00/15/61/1079001561.db2.gz JOTFEKBGLXFKDF-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267615056 1079225512 /nfs/dbraw/zinc/22/55/12/1079225512.db2.gz FTAHLDKFTBEFJI-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267615056 1079225517 /nfs/dbraw/zinc/22/55/17/1079225517.db2.gz FTAHLDKFTBEFJI-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267615056 1079225523 /nfs/dbraw/zinc/22/55/23/1079225523.db2.gz FTAHLDKFTBEFJI-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267615056 1079225529 /nfs/dbraw/zinc/22/55/29/1079225529.db2.gz FTAHLDKFTBEFJI-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484053113 1079272093 /nfs/dbraw/zinc/27/20/93/1079272093.db2.gz AZPSSDJEOBGQHL-RDJZCZTQSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484053113 1079272098 /nfs/dbraw/zinc/27/20/98/1079272098.db2.gz AZPSSDJEOBGQHL-RDJZCZTQSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 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C=CCC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001278459449 1141019630 /nfs/dbraw/zinc/01/96/30/1141019630.db2.gz KHZJWPGLHCYUOL-CRAIPNDOSA-N 2 2 316.449 2.042 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001278459449 1141019639 /nfs/dbraw/zinc/01/96/39/1141019639.db2.gz KHZJWPGLHCYUOL-CRAIPNDOSA-N 2 2 316.449 2.042 20 30 DEEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001323146500 1141817827 /nfs/dbraw/zinc/81/78/27/1141817827.db2.gz CFWNMITUTPUQAX-HOCLYGCPSA-N 2 2 324.428 2.417 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001336598923 1142512061 /nfs/dbraw/zinc/51/20/61/1142512061.db2.gz GOOHUJZAVQSBQD-INIZCTEOSA-N 2 2 321.852 2.321 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001256624327 1143857945 /nfs/dbraw/zinc/85/79/45/1143857945.db2.gz TWDZDLYODIOFHQ-SUTQANCOSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1=O 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/nfs/dbraw/zinc/39/76/58/1144397658.db2.gz LRVCXVBJCRJKDV-CVEARBPZSA-N 2 2 304.438 2.333 20 30 DEEDLP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001264515743 1144555076 /nfs/dbraw/zinc/55/50/76/1144555076.db2.gz RTQQFWXWYCPRNA-CVEARBPZSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001265095541 1144642278 /nfs/dbraw/zinc/64/22/78/1144642278.db2.gz XYZPYYMSYRELHM-DLBZAZTESA-N 2 2 316.449 2.046 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265673730 1144725960 /nfs/dbraw/zinc/72/59/60/1144725960.db2.gz KXIKAGPFPLCLOP-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265703749 1144730942 /nfs/dbraw/zinc/73/09/42/1144730942.db2.gz UDCPRQVKOTYSIO-HZPDHXFCSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265703749 1144730943 /nfs/dbraw/zinc/73/09/43/1144730943.db2.gz UDCPRQVKOTYSIO-HZPDHXFCSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001280351516 1144836261 /nfs/dbraw/zinc/83/62/61/1144836261.db2.gz YGPAIFXQTOUSCE-AWEZNQCLSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001280351516 1144836262 /nfs/dbraw/zinc/83/62/62/1144836262.db2.gz YGPAIFXQTOUSCE-AWEZNQCLSA-N 2 2 312.417 2.495 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001281570290 1144897859 /nfs/dbraw/zinc/89/78/59/1144897859.db2.gz BJXHMPKKWOIGFD-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001281570290 1144897860 /nfs/dbraw/zinc/89/78/60/1144897860.db2.gz BJXHMPKKWOIGFD-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001284639919 1145882750 /nfs/dbraw/zinc/88/27/50/1145882750.db2.gz CVJFEMJNZQETHM-GDBMZVCRSA-N 2 2 320.481 2.438 20 30 DEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272808480 210211430 /nfs/dbraw/zinc/21/14/30/210211430.db2.gz CRMVJONJUFWXIR-AWEZNQCLSA-N 2 2 319.430 2.124 20 30 DEEDLP C[N@H+](CC#Cc1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000441174917 529822958 /nfs/dbraw/zinc/82/29/58/529822958.db2.gz ZGLOUTSVPRHOSB-UHFFFAOYSA-N 2 2 306.837 2.080 20 30 DEEDLP C[N@@H+](CC#Cc1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000441174917 529822961 /nfs/dbraw/zinc/82/29/61/529822961.db2.gz ZGLOUTSVPRHOSB-UHFFFAOYSA-N 2 2 306.837 2.080 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960979 355396196 /nfs/dbraw/zinc/39/61/96/355396196.db2.gz UJLQRUZEQXKJSD-OAHLLOKOSA-N 2 2 323.400 2.490 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960979 355396200 /nfs/dbraw/zinc/39/62/00/355396200.db2.gz UJLQRUZEQXKJSD-OAHLLOKOSA-N 2 2 323.400 2.490 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725249 359306258 /nfs/dbraw/zinc/30/62/58/359306258.db2.gz WOPNKAHUWKPWLT-NXHRZFHOSA-N 2 2 315.461 2.397 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725249 359306264 /nfs/dbraw/zinc/30/62/64/359306264.db2.gz WOPNKAHUWKPWLT-NXHRZFHOSA-N 2 2 315.461 2.397 20 30 DEEDLP Cc1c[nH]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000600105294 359649735 /nfs/dbraw/zinc/64/97/35/359649735.db2.gz JUAWXHSLGGIRIX-UHFFFAOYSA-N 2 2 309.417 2.298 20 30 DEEDLP Cc1c[nH]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000600105294 359649740 /nfs/dbraw/zinc/64/97/40/359649740.db2.gz JUAWXHSLGGIRIX-UHFFFAOYSA-N 2 2 309.417 2.298 20 30 DEEDLP N#CC[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602885888 360609560 /nfs/dbraw/zinc/60/95/60/360609560.db2.gz YWHHMCPWGVFNRK-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602885888 360609565 /nfs/dbraw/zinc/60/95/65/360609565.db2.gz YWHHMCPWGVFNRK-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602885888 360609569 /nfs/dbraw/zinc/60/95/69/360609569.db2.gz YWHHMCPWGVFNRK-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602885888 360609570 /nfs/dbraw/zinc/60/95/70/360609570.db2.gz YWHHMCPWGVFNRK-MOPGFXCFSA-N 2 2 313.445 2.249 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281491327 216337243 /nfs/dbraw/zinc/33/72/43/216337243.db2.gz XKVQCFBYARXDHR-HNNXBMFYSA-N 2 2 314.433 2.303 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281491327 216337246 /nfs/dbraw/zinc/33/72/46/216337246.db2.gz XKVQCFBYARXDHR-HNNXBMFYSA-N 2 2 314.433 2.303 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(O)CCCC3)CC2)cc1 ZINC000271837971 209256576 /nfs/dbraw/zinc/25/65/76/209256576.db2.gz GIUQSNAHIYIYAS-UHFFFAOYSA-N 2 2 313.445 2.417 20 30 DEEDLP CCC#C[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711825 542194287 /nfs/dbraw/zinc/19/42/87/542194287.db2.gz QZSIVNIUNQJYCA-MJGOQNOKSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711825 542194290 /nfs/dbraw/zinc/19/42/90/542194290.db2.gz QZSIVNIUNQJYCA-MJGOQNOKSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711825 542194296 /nfs/dbraw/zinc/19/42/96/542194296.db2.gz QZSIVNIUNQJYCA-MJGOQNOKSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711825 542194299 /nfs/dbraw/zinc/19/42/99/542194299.db2.gz QZSIVNIUNQJYCA-MJGOQNOKSA-N 2 2 300.446 2.357 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493582495 249330383 /nfs/dbraw/zinc/33/03/83/249330383.db2.gz JOUVZBPIRJYGOS-MVGZEHJDSA-N 2 2 302.422 2.238 20 30 DEEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838772 147393321 /nfs/dbraw/zinc/39/33/21/147393321.db2.gz DYJHSDIKHQOOSH-PKOBYXMFSA-N 2 2 312.461 2.161 20 30 DEEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838772 147393322 /nfs/dbraw/zinc/39/33/22/147393322.db2.gz DYJHSDIKHQOOSH-PKOBYXMFSA-N 2 2 312.461 2.161 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134929913 401920364 /nfs/dbraw/zinc/92/03/64/401920364.db2.gz IMTSUPOTDXSFNU-AEFFLSMTSA-N 2 2 317.477 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134929913 401920367 /nfs/dbraw/zinc/92/03/67/401920367.db2.gz IMTSUPOTDXSFNU-AEFFLSMTSA-N 2 2 317.477 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134929913 401920369 /nfs/dbraw/zinc/92/03/69/401920369.db2.gz IMTSUPOTDXSFNU-AEFFLSMTSA-N 2 2 317.477 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134929913 401920372 /nfs/dbraw/zinc/92/03/72/401920372.db2.gz IMTSUPOTDXSFNU-AEFFLSMTSA-N 2 2 317.477 2.136 20 30 DEEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920809 402719587 /nfs/dbraw/zinc/71/95/87/402719587.db2.gz RPBQDOOMPPYZBL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920809 402719588 /nfs/dbraw/zinc/71/95/88/402719588.db2.gz RPBQDOOMPPYZBL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920809 402719590 /nfs/dbraw/zinc/71/95/90/402719590.db2.gz RPBQDOOMPPYZBL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000173920809 402719591 /nfs/dbraw/zinc/71/95/91/402719591.db2.gz RPBQDOOMPPYZBL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP COc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281634000 403077077 /nfs/dbraw/zinc/07/70/77/403077077.db2.gz IMVGZNAWQUMVQG-GASCZTMLSA-N 2 2 317.433 2.156 20 30 DEEDLP COc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281634000 403077078 /nfs/dbraw/zinc/07/70/78/403077078.db2.gz IMVGZNAWQUMVQG-GASCZTMLSA-N 2 2 317.433 2.156 20 30 DEEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000344178806 403961389 /nfs/dbraw/zinc/96/13/89/403961389.db2.gz WHTTVUPLRLXFBQ-LJQANCHMSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000348103642 404040434 /nfs/dbraw/zinc/04/04/34/404040434.db2.gz OPPHVWCWMYWSPM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000348103642 404040442 /nfs/dbraw/zinc/04/04/42/404040442.db2.gz OPPHVWCWMYWSPM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000348103642 404040449 /nfs/dbraw/zinc/04/04/49/404040449.db2.gz OPPHVWCWMYWSPM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000348103642 404040458 /nfs/dbraw/zinc/04/04/58/404040458.db2.gz OPPHVWCWMYWSPM-WMZOPIPTSA-N 2 2 320.481 2.328 20 30 DEEDLP C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349296825 404147830 /nfs/dbraw/zinc/14/78/30/404147830.db2.gz MWBJIZUZQOBBAE-AWEZNQCLSA-N 2 2 318.490 2.220 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349296825 404147837 /nfs/dbraw/zinc/14/78/37/404147837.db2.gz MWBJIZUZQOBBAE-AWEZNQCLSA-N 2 2 318.490 2.220 20 30 DEEDLP C=CCC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344923475 404449306 /nfs/dbraw/zinc/44/93/06/404449306.db2.gz UOBPGLANDQBEDF-HNNXBMFYSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344923475 404449311 /nfs/dbraw/zinc/44/93/11/404449311.db2.gz UOBPGLANDQBEDF-HNNXBMFYSA-N 2 2 307.482 2.216 20 30 DEEDLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCn2cc[nH+]c2C1 ZINC000330125438 404558011 /nfs/dbraw/zinc/55/80/11/404558011.db2.gz LZFXYZRMQBDVQT-UHFFFAOYSA-N 2 2 317.437 2.020 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430964447 405548902 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C=C(CC[NH+](C)C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000900326148 642330798 /nfs/dbraw/zinc/33/07/98/642330798.db2.gz ARZQWODPQMHZDY-UHFFFAOYSA-N 2 2 310.467 2.431 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000900370795 642345239 /nfs/dbraw/zinc/34/52/39/642345239.db2.gz MPELVIXKNDBOLO-UHFFFAOYSA-N 2 2 316.380 2.136 20 30 DEEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005709 643221948 /nfs/dbraw/zinc/22/19/48/643221948.db2.gz YKGJPDKODCZYOD-MSOLQXFVSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(C#N)c1 ZINC000903005709 643221950 /nfs/dbraw/zinc/22/19/50/643221950.db2.gz YKGJPDKODCZYOD-MSOLQXFVSA-N 2 2 301.434 2.446 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992432240 646997942 /nfs/dbraw/zinc/99/79/42/646997942.db2.gz PYICTJJDCUFTCC-FUHWJXTLSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992432240 646997945 /nfs/dbraw/zinc/99/79/45/646997945.db2.gz PYICTJJDCUFTCC-FUHWJXTLSA-N 2 2 316.449 2.042 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000817974626 647397661 /nfs/dbraw/zinc/39/76/61/647397661.db2.gz MXBJQRVOXCONPR-YJBOKZPZSA-N 2 2 302.418 2.118 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993479655 647676573 /nfs/dbraw/zinc/67/65/73/647676573.db2.gz AXUUWKGEWMAORT-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993479655 647676575 /nfs/dbraw/zinc/67/65/75/647676575.db2.gz AXUUWKGEWMAORT-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940835438 648953323 /nfs/dbraw/zinc/95/33/23/648953323.db2.gz CINJADYSHFSCEM-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940835438 648953326 /nfs/dbraw/zinc/95/33/26/648953326.db2.gz CINJADYSHFSCEM-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C[NH+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC1CC1 ZINC000849032005 651590152 /nfs/dbraw/zinc/59/01/52/651590152.db2.gz GHMNPIZSLJLITK-UHFFFAOYSA-N 2 2 303.797 2.353 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173360 693869974 /nfs/dbraw/zinc/86/99/74/693869974.db2.gz OAZPOLCNQONRPM-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173360 693869976 /nfs/dbraw/zinc/86/99/76/693869976.db2.gz OAZPOLCNQONRPM-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000872234937 688959604 /nfs/dbraw/zinc/95/96/04/688959604.db2.gz ALCIJOTZUQHILQ-IRXDYDNUSA-N 2 2 305.466 2.428 20 30 DEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000872234937 688959608 /nfs/dbraw/zinc/95/96/08/688959608.db2.gz ALCIJOTZUQHILQ-IRXDYDNUSA-N 2 2 305.466 2.428 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033428747 689496311 /nfs/dbraw/zinc/49/63/11/689496311.db2.gz BAUZZEWVUDNQHH-ARFHVFGLSA-N 2 2 316.449 2.023 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033428747 689496315 /nfs/dbraw/zinc/49/63/15/689496315.db2.gz BAUZZEWVUDNQHH-ARFHVFGLSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207372 689762827 /nfs/dbraw/zinc/76/28/27/689762827.db2.gz QZUYTGXHQBKWCL-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207372 689762830 /nfs/dbraw/zinc/76/28/30/689762830.db2.gz QZUYTGXHQBKWCL-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229454 689773239 /nfs/dbraw/zinc/77/32/39/689773239.db2.gz QVFCGTIOYLBMHT-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229454 689773242 /nfs/dbraw/zinc/77/32/42/689773242.db2.gz QVFCGTIOYLBMHT-OAHLLOKOSA-N 2 2 319.474 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690061680 /nfs/dbraw/zinc/06/16/80/690061680.db2.gz REPKBWRMBGRVCZ-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035211012 690061681 /nfs/dbraw/zinc/06/16/81/690061681.db2.gz REPKBWRMBGRVCZ-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001037872940 690628962 /nfs/dbraw/zinc/62/89/62/690628962.db2.gz UJRIRYRONSVSRW-CVEARBPZSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001037872950 690628983 /nfs/dbraw/zinc/62/89/83/690628983.db2.gz UJRIRYRONSVSRW-JKSUJKDBSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001037895994 690635410 /nfs/dbraw/zinc/63/54/10/690635410.db2.gz GVIFVDOPBXVRKK-GJZGRUSLSA-N 2 2 324.856 2.242 20 30 DEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137817 690815340 /nfs/dbraw/zinc/81/53/40/690815340.db2.gz KZMNMXAACOTSPO-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137817 690815344 /nfs/dbraw/zinc/81/53/44/690815344.db2.gz KZMNMXAACOTSPO-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137817 690815349 /nfs/dbraw/zinc/81/53/49/690815349.db2.gz KZMNMXAACOTSPO-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000880137817 690815353 /nfs/dbraw/zinc/81/53/53/690815353.db2.gz KZMNMXAACOTSPO-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137829 690816737 /nfs/dbraw/zinc/81/67/37/690816737.db2.gz LDSWCFQUWRHLTP-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137829 690816741 /nfs/dbraw/zinc/81/67/41/690816741.db2.gz LDSWCFQUWRHLTP-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137829 690816745 /nfs/dbraw/zinc/81/67/45/690816745.db2.gz LDSWCFQUWRHLTP-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137829 690816748 /nfs/dbraw/zinc/81/67/48/690816748.db2.gz LDSWCFQUWRHLTP-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255489 691071060 /nfs/dbraw/zinc/07/10/60/691071060.db2.gz AYSWIOZKNIFCST-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255489 691071062 /nfs/dbraw/zinc/07/10/62/691071062.db2.gz AYSWIOZKNIFCST-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039445756 691107965 /nfs/dbraw/zinc/10/79/65/691107965.db2.gz GVKHFNQWLDZQQP-BBWFWOEESA-N 2 2 316.449 2.476 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039445756 691107968 /nfs/dbraw/zinc/10/79/68/691107968.db2.gz GVKHFNQWLDZQQP-BBWFWOEESA-N 2 2 316.449 2.476 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001040877221 691295022 /nfs/dbraw/zinc/29/50/22/691295022.db2.gz WDCGLGVFTMBNFM-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040877221 691295024 /nfs/dbraw/zinc/29/50/24/691295024.db2.gz WDCGLGVFTMBNFM-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042115722 691512759 /nfs/dbraw/zinc/51/27/59/691512759.db2.gz ZKUALPUWFJSXNU-CVEARBPZSA-N 2 2 316.449 2.035 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042115722 691512760 /nfs/dbraw/zinc/51/27/60/691512760.db2.gz ZKUALPUWFJSXNU-CVEARBPZSA-N 2 2 316.449 2.035 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000931719330 694463483 /nfs/dbraw/zinc/46/34/83/694463483.db2.gz KGAHSHNWGLYRHZ-ZWKOTPCHSA-N 2 2 311.429 2.165 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000931719330 694463486 /nfs/dbraw/zinc/46/34/86/694463486.db2.gz KGAHSHNWGLYRHZ-ZWKOTPCHSA-N 2 2 311.429 2.165 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000931719330 694463488 /nfs/dbraw/zinc/46/34/88/694463488.db2.gz KGAHSHNWGLYRHZ-ZWKOTPCHSA-N 2 2 311.429 2.165 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000931719330 694463492 /nfs/dbraw/zinc/46/34/92/694463492.db2.gz KGAHSHNWGLYRHZ-ZWKOTPCHSA-N 2 2 311.429 2.165 20 30 DEEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001043668414 691728879 /nfs/dbraw/zinc/72/88/79/691728879.db2.gz YVIQAPNXMRFMGR-UHFFFAOYSA-N 2 2 305.422 2.064 20 30 DEEDLP C#CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000886573846 692114406 /nfs/dbraw/zinc/11/44/06/692114406.db2.gz YTZNMRVFFPLISC-QGZVFWFLSA-N 2 2 316.449 2.026 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569275 692227077 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VUJPOVDSVYNNGD-SFHVURJKSA-N 2 2 315.461 2.400 20 30 DEEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529564 786663668 /nfs/dbraw/zinc/66/36/68/786663668.db2.gz VUJPOVDSVYNNGD-SFHVURJKSA-N 2 2 315.461 2.400 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091289 787923142 /nfs/dbraw/zinc/92/31/42/787923142.db2.gz VJVIRMYYJWGWDN-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091289 787923148 /nfs/dbraw/zinc/92/31/48/787923148.db2.gz VJVIRMYYJWGWDN-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091289 787923153 /nfs/dbraw/zinc/92/31/53/787923153.db2.gz VJVIRMYYJWGWDN-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091289 787923156 /nfs/dbraw/zinc/92/31/56/787923156.db2.gz VJVIRMYYJWGWDN-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097073419 787966108 /nfs/dbraw/zinc/96/61/08/787966108.db2.gz DYAHCBMNCUWVJO-OAGGEKHMSA-N 2 2 310.401 2.164 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097073419 787966116 /nfs/dbraw/zinc/96/61/16/787966116.db2.gz DYAHCBMNCUWVJO-OAGGEKHMSA-N 2 2 310.401 2.164 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132368642 788044855 /nfs/dbraw/zinc/04/48/55/788044855.db2.gz PAEKODLNXGJECK-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132368642 788044864 /nfs/dbraw/zinc/04/48/64/788044864.db2.gz PAEKODLNXGJECK-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433053 788070375 /nfs/dbraw/zinc/07/03/75/788070375.db2.gz JXLQFIJONUSXTA-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433053 788070370 /nfs/dbraw/zinc/07/03/70/788070370.db2.gz JXLQFIJONUSXTA-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541316 788118526 /nfs/dbraw/zinc/11/85/26/788118526.db2.gz CVMAMHLASMIAOY-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541316 788118529 /nfs/dbraw/zinc/11/85/29/788118529.db2.gz CVMAMHLASMIAOY-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541316 788118533 /nfs/dbraw/zinc/11/85/33/788118533.db2.gz CVMAMHLASMIAOY-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781596 788191078 /nfs/dbraw/zinc/19/10/78/788191078.db2.gz DJKFQEYCBNVPOC-CVEARBPZSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242561 788330508 /nfs/dbraw/zinc/33/05/08/788330508.db2.gz UXCSKIBGJKEMNK-GJZGRUSLSA-N 2 2 318.465 2.338 20 30 DEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732076 789064260 /nfs/dbraw/zinc/06/42/60/789064260.db2.gz CPQGQJQKCUHVSL-CABCVRRESA-N 2 2 319.449 2.472 20 30 DEEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096822 789196828 /nfs/dbraw/zinc/19/68/28/789196828.db2.gz BWUCSCZAGIQVEC-JKSUJKDBSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767910 791611766 /nfs/dbraw/zinc/61/17/66/791611766.db2.gz UBHBKRSAZKRCIH-INIZCTEOSA-N 2 2 316.449 2.191 20 30 DEEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767910 791611773 /nfs/dbraw/zinc/61/17/73/791611773.db2.gz UBHBKRSAZKRCIH-INIZCTEOSA-N 2 2 316.449 2.191 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920307 791851843 /nfs/dbraw/zinc/85/18/43/791851843.db2.gz LWHFSYYLXZQCGK-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576957 793137716 /nfs/dbraw/zinc/13/77/16/793137716.db2.gz MYOLLHWCFNARPA-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413622 793606759 /nfs/dbraw/zinc/60/67/59/793606759.db2.gz OFHUOJBUONYUPO-VHDGCEQUSA-N 2 2 324.856 2.271 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413622 793606763 /nfs/dbraw/zinc/60/67/63/793606763.db2.gz OFHUOJBUONYUPO-VHDGCEQUSA-N 2 2 324.856 2.271 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413621 793607156 /nfs/dbraw/zinc/60/71/56/793607156.db2.gz OFHUOJBUONYUPO-BPLDGKMQSA-N 2 2 324.856 2.271 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102413621 793607163 /nfs/dbraw/zinc/60/71/63/793607163.db2.gz OFHUOJBUONYUPO-BPLDGKMQSA-N 2 2 324.856 2.271 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567140 794823497 /nfs/dbraw/zinc/82/34/97/794823497.db2.gz QXGHLTVVHFNUKR-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567140 794823506 /nfs/dbraw/zinc/82/35/06/794823506.db2.gz QXGHLTVVHFNUKR-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C=CCCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115748692 794906414 /nfs/dbraw/zinc/90/64/14/794906414.db2.gz DJTPNVVCJWIWKR-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202212 795075067 /nfs/dbraw/zinc/07/50/67/795075067.db2.gz BCBNSXJAPIYUKC-PMPSAXMXSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121028805 795579025 /nfs/dbraw/zinc/57/90/25/795579025.db2.gz CVVQXQSDRCJKEL-UHFFFAOYSA-N 2 2 316.449 2.326 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220744 795629200 /nfs/dbraw/zinc/62/92/00/795629200.db2.gz PTTNPCWLPVKJCP-OAHLLOKOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121841775 795693766 /nfs/dbraw/zinc/69/37/66/795693766.db2.gz LXEANLODSLWEBQ-XOGYLQAWSA-N 2 2 316.449 2.427 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183402370 795865502 /nfs/dbraw/zinc/86/55/02/795865502.db2.gz FYPDQFFJXMWNCR-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183402370 795865507 /nfs/dbraw/zinc/86/55/07/795865507.db2.gz FYPDQFFJXMWNCR-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184274090 796020085 /nfs/dbraw/zinc/02/00/85/796020085.db2.gz MOJXMVWLHUKFQM-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184533909 796077682 /nfs/dbraw/zinc/07/76/82/796077682.db2.gz HGPKLIFLHHSIHX-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184533909 796077686 /nfs/dbraw/zinc/07/76/86/796077686.db2.gz HGPKLIFLHHSIHX-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185575107 796284846 /nfs/dbraw/zinc/28/48/46/796284846.db2.gz SWHBRYFYMNBDKS-SMDDNHRTSA-N 2 2 324.856 2.087 20 30 DEEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078006 796596630 /nfs/dbraw/zinc/59/66/30/796596630.db2.gz KGONYZOHNGQHHS-IAGOWNOFSA-N 2 2 322.412 2.217 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696058 797614461 /nfs/dbraw/zinc/61/44/61/797614461.db2.gz PNYHMSLGHOCBBR-DZGCQCFKSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696058 797614464 /nfs/dbraw/zinc/61/44/64/797614464.db2.gz PNYHMSLGHOCBBR-DZGCQCFKSA-N 2 2 304.438 2.148 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449607 797726281 /nfs/dbraw/zinc/72/62/81/797726281.db2.gz VPBAXOSPZNVEQI-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449607 797726284 /nfs/dbraw/zinc/72/62/84/797726284.db2.gz VPBAXOSPZNVEQI-MRXNPFEDSA-N 2 2 304.438 2.162 20 30 DEEDLP C[NH+](C)C1(CNc2cc(Cl)ncc2C#N)CC[NH+](C)CC1 ZINC001156176059 797939098 /nfs/dbraw/zinc/93/90/98/797939098.db2.gz JDFRYFUMMAKANO-UHFFFAOYSA-N 2 2 307.829 2.045 20 30 DEEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182627 798719102 /nfs/dbraw/zinc/71/91/02/798719102.db2.gz LGCNKWVCTHEDOJ-QGZVFWFLSA-N 2 2 316.449 2.074 20 30 DEEDLP Cc1cc(Cl)c(C#N)c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164206884 799538692 /nfs/dbraw/zinc/53/86/92/799538692.db2.gz IZISMWVAGHSMQF-UHFFFAOYSA-N 2 2 321.856 2.353 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494783 800061468 /nfs/dbraw/zinc/06/14/68/800061468.db2.gz XULFKLMIXAJKLN-CYBMUJFWSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679924 800399154 /nfs/dbraw/zinc/39/91/54/800399154.db2.gz SJOHRIINOAPDNY-UHFFFAOYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129647 800847093 /nfs/dbraw/zinc/84/70/93/800847093.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129647 800847096 /nfs/dbraw/zinc/84/70/96/800847096.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129647 800847103 /nfs/dbraw/zinc/84/71/03/800847103.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129647 800847108 /nfs/dbraw/zinc/84/71/08/800847108.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985649 801107483 /nfs/dbraw/zinc/10/74/83/801107483.db2.gz VVBQHRGBWFYDFI-OWCLPIDISA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985649 801107487 /nfs/dbraw/zinc/10/74/87/801107487.db2.gz VVBQHRGBWFYDFI-OWCLPIDISA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209865879 801296865 /nfs/dbraw/zinc/29/68/65/801296865.db2.gz LUENVQTYRSUSGG-HZPDHXFCSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723291 801452572 /nfs/dbraw/zinc/45/25/72/801452572.db2.gz IJTODTCDUCHEEP-HLLBOEOZSA-N 2 2 318.465 2.144 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723291 801452575 /nfs/dbraw/zinc/45/25/75/801452575.db2.gz IJTODTCDUCHEEP-HLLBOEOZSA-N 2 2 318.465 2.144 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450191 801568281 /nfs/dbraw/zinc/56/82/81/801568281.db2.gz MVBWFCAHUGQLMN-IXDOHACOSA-N 2 2 318.465 2.455 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450191 801568288 /nfs/dbraw/zinc/56/82/88/801568288.db2.gz MVBWFCAHUGQLMN-IXDOHACOSA-N 2 2 318.465 2.455 20 30 DEEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232475776 801895188 /nfs/dbraw/zinc/89/51/88/801895188.db2.gz MOVPZAIKGVWOGR-UHFFFAOYSA-N 2 2 307.401 2.396 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636259 802598902 /nfs/dbraw/zinc/59/89/02/802598902.db2.gz LCAROCFBRIGSKZ-BRWVUGGUSA-N 2 2 316.449 2.189 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636259 802598907 /nfs/dbraw/zinc/59/89/07/802598907.db2.gz LCAROCFBRIGSKZ-BRWVUGGUSA-N 2 2 316.449 2.189 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800331 803414545 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KYCYRLOWGNYVMS-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001479780575 1061748154 /nfs/dbraw/zinc/74/81/54/1061748154.db2.gz KYCYRLOWGNYVMS-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479822832 1061842967 /nfs/dbraw/zinc/84/29/67/1061842967.db2.gz CSHVTGXKIVDLMJ-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001479889005 1061993636 /nfs/dbraw/zinc/99/36/36/1061993636.db2.gz QOQCENXILCQOHB-HZPDHXFCSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001479889005 1061993663 /nfs/dbraw/zinc/99/36/63/1061993663.db2.gz QOQCENXILCQOHB-HZPDHXFCSA-N 2 2 316.449 2.402 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480290309 1062593738 /nfs/dbraw/zinc/59/37/38/1062593738.db2.gz NVPKQODTVBPPHP-KRWDZBQOSA-N 2 2 313.445 2.472 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480327301 1062657302 /nfs/dbraw/zinc/65/73/02/1062657302.db2.gz CCIAXDNFKWDXGB-CVEARBPZSA-N 2 2 304.438 2.381 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480327301 1062657314 /nfs/dbraw/zinc/65/73/14/1062657314.db2.gz CCIAXDNFKWDXGB-CVEARBPZSA-N 2 2 304.438 2.381 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001480332999 1062669274 /nfs/dbraw/zinc/66/92/74/1062669274.db2.gz PKLRXLUXYSUXSU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001480332999 1062669288 /nfs/dbraw/zinc/66/92/88/1062669288.db2.gz PKLRXLUXYSUXSU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001480332999 1062669298 /nfs/dbraw/zinc/66/92/98/1062669298.db2.gz PKLRXLUXYSUXSU-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001480332999 1062669267 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20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567729677 1064381373 /nfs/dbraw/zinc/38/13/73/1064381373.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567729677 1064381384 /nfs/dbraw/zinc/38/13/84/1064381384.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567729677 1064381397 /nfs/dbraw/zinc/38/13/97/1064381397.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567729677 1064381412 /nfs/dbraw/zinc/38/14/12/1064381412.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567779996 1064421417 /nfs/dbraw/zinc/42/14/17/1064421417.db2.gz VNVMEHPMSSAXSK-HIFRSBDPSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567779996 1064421427 /nfs/dbraw/zinc/42/14/27/1064421427.db2.gz VNVMEHPMSSAXSK-HIFRSBDPSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCCC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001568439040 1064873554 /nfs/dbraw/zinc/87/35/54/1064873554.db2.gz DHVAKYGGPCKNAB-UHFFFAOYSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001568439040 1064873560 /nfs/dbraw/zinc/87/35/60/1064873560.db2.gz DHVAKYGGPCKNAB-UHFFFAOYSA-N 2 2 318.465 2.479 20 30 DEEDLP C#CCC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001568457879 1064885535 /nfs/dbraw/zinc/88/55/35/1064885535.db2.gz SSLJIWHBOMEYBP-SFHVURJKSA-N 2 2 324.428 2.240 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001495538793 1064972823 /nfs/dbraw/zinc/97/28/23/1064972823.db2.gz GJVLYHMDOQDBDO-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001496430381 1065467113 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OCHXKEDCFCCCBU-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001570183624 1065961463 /nfs/dbraw/zinc/96/14/63/1065961463.db2.gz OCHXKEDCFCCCBU-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001570183624 1065961472 /nfs/dbraw/zinc/96/14/72/1065961472.db2.gz OCHXKEDCFCCCBU-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001499615816 1067280383 /nfs/dbraw/zinc/28/03/83/1067280383.db2.gz IHRLSSICAAIONY-CRAIPNDOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001499615816 1067280390 /nfs/dbraw/zinc/28/03/90/1067280390.db2.gz IHRLSSICAAIONY-CRAIPNDOSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267045376 1078525156 /nfs/dbraw/zinc/52/51/56/1078525156.db2.gz YIRGFCAXOFKZDO-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 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N#Cc1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346477889 146089266 /nfs/dbraw/zinc/08/92/66/146089266.db2.gz FKAGOYIAWZRWSE-GOSISDBHSA-N 2 2 309.369 2.485 20 30 DEEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000566017262 292197839 /nfs/dbraw/zinc/19/78/39/292197839.db2.gz GEVYVKZPVMPQAI-AWEZNQCLSA-N 2 2 324.384 2.068 20 30 DEEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000566017262 292197840 /nfs/dbraw/zinc/19/78/40/292197840.db2.gz GEVYVKZPVMPQAI-AWEZNQCLSA-N 2 2 324.384 2.068 20 30 DEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000112683390 401753560 /nfs/dbraw/zinc/75/35/60/401753560.db2.gz ORODAMWLRDGLFI-GOSISDBHSA-N 2 2 315.461 2.325 20 30 DEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000112683390 401753561 /nfs/dbraw/zinc/75/35/61/401753561.db2.gz ORODAMWLRDGLFI-GOSISDBHSA-N 2 2 315.461 2.325 20 30 DEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000177066958 402366230 /nfs/dbraw/zinc/36/62/30/402366230.db2.gz LJVOXLXSGKMWBF-KRWDZBQOSA-N 2 2 324.384 2.306 20 30 DEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000178442648 402499226 /nfs/dbraw/zinc/49/92/26/402499226.db2.gz XIYGQUQIEGVTAR-OAHLLOKOSA-N 2 2 316.424 2.304 20 30 DEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000178442648 402499227 /nfs/dbraw/zinc/49/92/27/402499227.db2.gz XIYGQUQIEGVTAR-OAHLLOKOSA-N 2 2 316.424 2.304 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267422347 403038901 /nfs/dbraw/zinc/03/89/01/403038901.db2.gz KXEANZPATLVEGE-GFCCVEGCSA-N 2 2 315.402 2.161 20 30 DEEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267422347 403038904 /nfs/dbraw/zinc/03/89/04/403038904.db2.gz KXEANZPATLVEGE-GFCCVEGCSA-N 2 2 315.402 2.161 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282534641 403155979 /nfs/dbraw/zinc/15/59/79/403155979.db2.gz QVSWVCSSHLJNKW-QGZVFWFLSA-N 2 2 315.461 2.179 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282534641 403155981 /nfs/dbraw/zinc/15/59/81/403155981.db2.gz QVSWVCSSHLJNKW-QGZVFWFLSA-N 2 2 315.461 2.179 20 30 DEEDLP CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000303104889 403747956 /nfs/dbraw/zinc/74/79/56/403747956.db2.gz BRSYPAFPIISEEY-XJKSGUPXSA-N 2 2 314.433 2.496 20 30 DEEDLP CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000303104889 403747959 /nfs/dbraw/zinc/74/79/59/403747959.db2.gz BRSYPAFPIISEEY-XJKSGUPXSA-N 2 2 314.433 2.496 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000337172905 403969545 /nfs/dbraw/zinc/96/95/45/403969545.db2.gz GUFZZJSKDKMYKY-KURKYZTESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000337172905 403969548 /nfs/dbraw/zinc/96/95/48/403969548.db2.gz GUFZZJSKDKMYKY-KURKYZTESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000337172905 403969559 /nfs/dbraw/zinc/96/95/59/403969559.db2.gz GUFZZJSKDKMYKY-KURKYZTESA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000337172905 403969566 /nfs/dbraw/zinc/96/95/66/403969566.db2.gz GUFZZJSKDKMYKY-KURKYZTESA-N 2 2 319.493 2.360 20 30 DEEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000328731308 404140710 /nfs/dbraw/zinc/14/07/10/404140710.db2.gz WXGXTBLJEXLOTA-OAHLLOKOSA-N 2 2 315.421 2.070 20 30 DEEDLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000328731308 404140719 /nfs/dbraw/zinc/14/07/19/404140719.db2.gz WXGXTBLJEXLOTA-OAHLLOKOSA-N 2 2 315.421 2.070 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350780585 404466360 /nfs/dbraw/zinc/46/63/60/404466360.db2.gz DUDPBRLSACOABM-AEFFLSMTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350780585 404466363 /nfs/dbraw/zinc/46/63/63/404466363.db2.gz DUDPBRLSACOABM-AEFFLSMTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350780585 404466364 /nfs/dbraw/zinc/46/63/64/404466364.db2.gz DUDPBRLSACOABM-AEFFLSMTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350780585 404466365 /nfs/dbraw/zinc/46/63/65/404466365.db2.gz DUDPBRLSACOABM-AEFFLSMTSA-N 2 2 321.509 2.463 20 30 DEEDLP Cn1cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1C#N ZINC000361603813 405156959 /nfs/dbraw/zinc/15/69/59/405156959.db2.gz OHMSYFCDOCKFPE-OAHLLOKOSA-N 2 2 309.417 2.419 20 30 DEEDLP Cn1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1C#N ZINC000361603813 405156965 /nfs/dbraw/zinc/15/69/65/405156965.db2.gz OHMSYFCDOCKFPE-OAHLLOKOSA-N 2 2 309.417 2.419 20 30 DEEDLP Cn1cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1C#N ZINC000361603810 405157069 /nfs/dbraw/zinc/15/70/69/405157069.db2.gz OHMSYFCDOCKFPE-HNNXBMFYSA-N 2 2 309.417 2.419 20 30 DEEDLP Cn1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1C#N ZINC000361603810 405157074 /nfs/dbraw/zinc/15/70/74/405157074.db2.gz OHMSYFCDOCKFPE-HNNXBMFYSA-N 2 2 309.417 2.419 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427124677 405390454 /nfs/dbraw/zinc/39/04/54/405390454.db2.gz UQYOUHXPWZIEER-JKSUJKDBSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427124677 405390456 /nfs/dbraw/zinc/39/04/56/405390456.db2.gz UQYOUHXPWZIEER-JKSUJKDBSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CC[N@@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925044 405407002 /nfs/dbraw/zinc/40/70/02/405407002.db2.gz VEVAFZZJOOUBEE-UHFFFAOYSA-N 2 2 304.434 2.153 20 30 DEEDLP C=CC[N@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925044 405407003 /nfs/dbraw/zinc/40/70/03/405407003.db2.gz VEVAFZZJOOUBEE-UHFFFAOYSA-N 2 2 304.434 2.153 20 30 DEEDLP C=C(C)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638910726 405755033 /nfs/dbraw/zinc/75/50/33/405755033.db2.gz USHYCLUGDNDYES-UHFFFAOYSA-N 2 2 304.434 2.406 20 30 DEEDLP C=C(C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638910726 405755036 /nfs/dbraw/zinc/75/50/36/405755036.db2.gz USHYCLUGDNDYES-UHFFFAOYSA-N 2 2 304.434 2.406 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495744944 405933480 /nfs/dbraw/zinc/93/34/80/405933480.db2.gz JCHXBHKCACYLIV-AWEZNQCLSA-N 2 2 323.481 2.482 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000568304421 406217176 /nfs/dbraw/zinc/21/71/76/406217176.db2.gz NYPYWHISISTWGB-UHFFFAOYSA-N 2 2 314.433 2.159 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000491209902 406544791 /nfs/dbraw/zinc/54/47/91/406544791.db2.gz NKYCHSGALXSEDB-LJQANCHMSA-N 2 2 308.429 2.305 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000491209902 406544794 /nfs/dbraw/zinc/54/47/94/406544794.db2.gz NKYCHSGALXSEDB-LJQANCHMSA-N 2 2 308.429 2.305 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768826 406709427 /nfs/dbraw/zinc/70/94/27/406709427.db2.gz JNEJCQBVOPLXCY-MRXNPFEDSA-N 2 2 313.445 2.419 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768826 406709433 /nfs/dbraw/zinc/70/94/33/406709433.db2.gz JNEJCQBVOPLXCY-MRXNPFEDSA-N 2 2 313.445 2.419 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786031 406891683 /nfs/dbraw/zinc/89/16/83/406891683.db2.gz NEBCZVISOSCGSS-CEXWTWQISA-N 2 2 321.509 2.117 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647181256 406966492 /nfs/dbraw/zinc/96/64/92/406966492.db2.gz RYSRRJVQTNIZSI-UHFFFAOYSA-N 2 2 311.433 2.397 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655711541 425634582 /nfs/dbraw/zinc/63/45/82/425634582.db2.gz HNESVAYSVBXOHD-IBGZPJMESA-N 3 2 321.509 2.260 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655711541 425634584 /nfs/dbraw/zinc/63/45/84/425634584.db2.gz HNESVAYSVBXOHD-IBGZPJMESA-N 2 2 321.509 2.260 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329319707 295381195 /nfs/dbraw/zinc/38/11/95/295381195.db2.gz TWXKXSVCOWKXNR-TZMCWYRMSA-N 2 2 303.410 2.087 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329319707 295381197 /nfs/dbraw/zinc/38/11/97/295381197.db2.gz TWXKXSVCOWKXNR-TZMCWYRMSA-N 2 2 303.410 2.087 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000559636290 332274734 /nfs/dbraw/zinc/27/47/34/332274734.db2.gz JNIRPEFUXFUCRA-HNNXBMFYSA-N 2 2 302.422 2.310 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000559636290 332274736 /nfs/dbraw/zinc/27/47/36/332274736.db2.gz JNIRPEFUXFUCRA-HNNXBMFYSA-N 2 2 302.422 2.310 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342109290 334510710 /nfs/dbraw/zinc/51/07/10/334510710.db2.gz RDUVSAAIOXYSLP-UHFFFAOYSA-N 2 2 305.447 2.374 20 30 DEEDLP COc1cccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)c1 ZINC000264077704 533715187 /nfs/dbraw/zinc/71/51/87/533715187.db2.gz HSVSLAHAMDULGT-MRXNPFEDSA-N 2 2 306.454 2.248 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001378220469 1152229611 /nfs/dbraw/zinc/22/96/11/1152229611.db2.gz XNBHPOYSSDSQEE-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001378220469 1152229616 /nfs/dbraw/zinc/22/96/16/1152229616.db2.gz XNBHPOYSSDSQEE-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001378220469 1152229619 /nfs/dbraw/zinc/22/96/19/1152229619.db2.gz XNBHPOYSSDSQEE-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001378220469 1152229621 /nfs/dbraw/zinc/22/96/21/1152229621.db2.gz XNBHPOYSSDSQEE-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001397254811 1160086298 /nfs/dbraw/zinc/08/62/98/1160086298.db2.gz ASTHQNNNFUPEHU-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001397254811 1160086307 /nfs/dbraw/zinc/08/63/07/1160086307.db2.gz ASTHQNNNFUPEHU-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001397254811 1160086331 /nfs/dbraw/zinc/08/63/31/1160086331.db2.gz ASTHQNNNFUPEHU-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001378731967 1152427623 /nfs/dbraw/zinc/42/76/23/1152427623.db2.gz PQYJVIWNXDDEBR-UHFFFAOYSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001378731967 1152427625 /nfs/dbraw/zinc/42/76/25/1152427625.db2.gz PQYJVIWNXDDEBR-UHFFFAOYSA-N 2 2 313.873 2.004 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245019 1149078226 /nfs/dbraw/zinc/07/82/26/1149078226.db2.gz QOYHJNWZWPRTHL-HNNXBMFYSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245019 1149078231 /nfs/dbraw/zinc/07/82/31/1149078231.db2.gz QOYHJNWZWPRTHL-HNNXBMFYSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427124675 517337293 /nfs/dbraw/zinc/33/72/93/517337293.db2.gz UQYOUHXPWZIEER-HOTGVXAUSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427124675 517337300 /nfs/dbraw/zinc/33/73/00/517337300.db2.gz UQYOUHXPWZIEER-HOTGVXAUSA-N 2 2 302.418 2.444 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000262696553 526374558 /nfs/dbraw/zinc/37/45/58/526374558.db2.gz DXLGIEGJRCHLIN-SGMGOOAPSA-N 2 2 306.479 2.068 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000262696553 526374563 /nfs/dbraw/zinc/37/45/63/526374563.db2.gz DXLGIEGJRCHLIN-SGMGOOAPSA-N 2 2 306.479 2.068 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000819722206 606418029 /nfs/dbraw/zinc/41/80/29/606418029.db2.gz CDUKKKPZYUJNFD-UHFFFAOYSA-N 2 2 318.450 2.058 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001381539489 1153115113 /nfs/dbraw/zinc/11/51/13/1153115113.db2.gz WDVUAUJLFXLSRJ-AWEZNQCLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001381539489 1153115114 /nfs/dbraw/zinc/11/51/14/1153115114.db2.gz WDVUAUJLFXLSRJ-AWEZNQCLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]12 ZINC001026312046 625289250 /nfs/dbraw/zinc/28/92/50/625289250.db2.gz PGRGCOFWCLQZCC-BZUAXINKSA-N 2 2 324.428 2.351 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585514 625333831 /nfs/dbraw/zinc/33/38/31/625333831.db2.gz GBBDNISAFRPJOQ-LSDHHAIUSA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585514 625333833 /nfs/dbraw/zinc/33/38/33/625333833.db2.gz GBBDNISAFRPJOQ-LSDHHAIUSA-N 2 2 316.449 2.234 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421576 625420647 /nfs/dbraw/zinc/42/06/47/625420647.db2.gz CRQXCWZLLPMNDG-NVXWUHKLSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421576 625420648 /nfs/dbraw/zinc/42/06/48/625420648.db2.gz CRQXCWZLLPMNDG-NVXWUHKLSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969675362 622880031 /nfs/dbraw/zinc/88/00/31/622880031.db2.gz TTXBIRDBBXOYOZ-AWEZNQCLSA-N 2 2 312.417 2.269 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970408660 623444350 /nfs/dbraw/zinc/44/43/50/623444350.db2.gz ZEOYMMWUTHCRHF-DZGCQCFKSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753445 624039922 /nfs/dbraw/zinc/03/99/22/624039922.db2.gz GRYHGWJXFUBZNQ-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753445 624039926 /nfs/dbraw/zinc/03/99/26/624039926.db2.gz GRYHGWJXFUBZNQ-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007440376 625242532 /nfs/dbraw/zinc/24/25/32/625242532.db2.gz JYOLALYGLAVYMS-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007440376 625242535 /nfs/dbraw/zinc/24/25/35/625242535.db2.gz JYOLALYGLAVYMS-CQSZACIVSA-N 2 2 307.463 2.190 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980228551 634906865 /nfs/dbraw/zinc/90/68/65/634906865.db2.gz GPFQZVOCFNUZJJ-HRCADAONSA-N 2 2 316.449 2.053 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980228551 634906871 /nfs/dbraw/zinc/90/68/71/634906871.db2.gz GPFQZVOCFNUZJJ-HRCADAONSA-N 2 2 316.449 2.053 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000921861221 635640363 /nfs/dbraw/zinc/64/03/63/635640363.db2.gz WRFGISCTCAVPHO-JKSUJKDBSA-N 2 2 305.447 2.087 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239795 635946046 /nfs/dbraw/zinc/94/60/46/635946046.db2.gz XJRRLKKWILPUOV-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239795 635946047 /nfs/dbraw/zinc/94/60/47/635946047.db2.gz XJRRLKKWILPUOV-GOSISDBHSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612015 636501033 /nfs/dbraw/zinc/50/10/33/636501033.db2.gz XYXSUOHLUHGVAL-KRWDZBQOSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612015 636501036 /nfs/dbraw/zinc/50/10/36/636501036.db2.gz XYXSUOHLUHGVAL-KRWDZBQOSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632437 636521011 /nfs/dbraw/zinc/52/10/11/636521011.db2.gz JGPYPHLFECBJML-GFCCVEGCSA-N 2 2 318.808 2.367 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632437 636521012 /nfs/dbraw/zinc/52/10/12/636521012.db2.gz JGPYPHLFECBJML-GFCCVEGCSA-N 2 2 318.808 2.367 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947980385 637240179 /nfs/dbraw/zinc/24/01/79/637240179.db2.gz PDMGXIQPHOOYSH-UKRRQHHQSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947980385 637240182 /nfs/dbraw/zinc/24/01/82/637240182.db2.gz PDMGXIQPHOOYSH-UKRRQHHQSA-N 2 2 304.438 2.196 20 30 DEEDLP C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000743493059 638151640 /nfs/dbraw/zinc/15/16/40/638151640.db2.gz GGOQUNVXHUQWBY-UHFFFAOYSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298924 641092653 /nfs/dbraw/zinc/09/26/53/641092653.db2.gz ZDRASWROUJVEKF-SFHVURJKSA-N 2 2 320.396 2.283 20 30 DEEDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C[NH+](C)C ZINC000926957375 641535326 /nfs/dbraw/zinc/53/53/26/641535326.db2.gz AOYAODYSCDJAQR-WMLDXEAASA-N 2 2 305.422 2.206 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)c(F)c1 ZINC000776738557 642202094 /nfs/dbraw/zinc/20/20/94/642202094.db2.gz DMDJLOKUEFHTIO-VBNZEHGJSA-N 2 2 303.381 2.211 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)c(F)c1 ZINC000776738557 642202097 /nfs/dbraw/zinc/20/20/97/642202097.db2.gz DMDJLOKUEFHTIO-VBNZEHGJSA-N 2 2 303.381 2.211 20 30 DEEDLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000905549451 643959103 /nfs/dbraw/zinc/95/91/03/643959103.db2.gz GESRALMMTSVDJV-OALUTQOASA-N 2 2 324.428 2.269 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991119835 644772920 /nfs/dbraw/zinc/77/29/20/644772920.db2.gz QMJFCPMZSLOCAF-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991119835 644772922 /nfs/dbraw/zinc/77/29/22/644772922.db2.gz QMJFCPMZSLOCAF-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991119835 644772925 /nfs/dbraw/zinc/77/29/25/644772925.db2.gz QMJFCPMZSLOCAF-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991119835 644772927 /nfs/dbraw/zinc/77/29/27/644772927.db2.gz QMJFCPMZSLOCAF-AHEZYBDSSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991119837 644773105 /nfs/dbraw/zinc/77/31/05/644773105.db2.gz QMJFCPMZSLOCAF-GZOSKZMVSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991119837 644773106 /nfs/dbraw/zinc/77/31/06/644773106.db2.gz QMJFCPMZSLOCAF-GZOSKZMVSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991119837 644773111 /nfs/dbraw/zinc/77/31/11/644773111.db2.gz QMJFCPMZSLOCAF-GZOSKZMVSA-N 2 2 314.433 2.203 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991119837 644773116 /nfs/dbraw/zinc/77/31/16/644773116.db2.gz QMJFCPMZSLOCAF-GZOSKZMVSA-N 2 2 314.433 2.203 20 30 DEEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC000992738898 647207633 /nfs/dbraw/zinc/20/76/33/647207633.db2.gz HRCZRCJCXPKNEO-FRFSOERESA-N 2 2 322.412 2.026 20 30 DEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000992859022 647308558 /nfs/dbraw/zinc/30/85/58/647308558.db2.gz RNPAZGJSBOEDQR-QLFBSQMISA-N 2 2 316.449 2.090 20 30 DEEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000992859028 647308589 /nfs/dbraw/zinc/30/85/89/647308589.db2.gz RNPAZGJSBOEDQR-SOUVJXGZSA-N 2 2 316.449 2.090 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823920166 648499612 /nfs/dbraw/zinc/49/96/12/648499612.db2.gz YXHVKQMKCYMPGK-CYBMUJFWSA-N 2 2 312.421 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694076869 /nfs/dbraw/zinc/07/68/69/694076869.db2.gz CAMQGEPXLZIUPA-RHSMWYFYSA-N 2 2 310.401 2.108 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017618948 687925729 /nfs/dbraw/zinc/92/57/29/687925729.db2.gz WNBHBCWADUUFMO-XHSDSOJGSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017618948 687925732 /nfs/dbraw/zinc/92/57/32/687925732.db2.gz WNBHBCWADUUFMO-XHSDSOJGSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018006922 688025439 /nfs/dbraw/zinc/02/54/39/688025439.db2.gz GZODRDIVZNDKCD-HRCADAONSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018006922 688025445 /nfs/dbraw/zinc/02/54/45/688025445.db2.gz GZODRDIVZNDKCD-HRCADAONSA-N 2 2 302.422 2.086 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584025 689194297 /nfs/dbraw/zinc/19/42/97/689194297.db2.gz 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C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733248 691419973 /nfs/dbraw/zinc/41/99/73/691419973.db2.gz RKAMIXKDTAQYSF-CRAIPNDOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042061438 691495215 /nfs/dbraw/zinc/49/52/15/691495215.db2.gz FQGXKCMJSNBPSI-DOTOQJQBSA-N 2 2 324.428 2.365 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042061438 691495218 /nfs/dbraw/zinc/49/52/18/691495218.db2.gz FQGXKCMJSNBPSI-DOTOQJQBSA-N 2 2 324.428 2.365 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943443 692059262 /nfs/dbraw/zinc/05/92/62/692059262.db2.gz HPIKXUJBGRABGB-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943443 692059266 /nfs/dbraw/zinc/05/92/66/692059266.db2.gz HPIKXUJBGRABGB-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943443 692059269 /nfs/dbraw/zinc/05/92/69/692059269.db2.gz HPIKXUJBGRABGB-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943443 692059270 /nfs/dbraw/zinc/05/92/70/692059270.db2.gz HPIKXUJBGRABGB-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047259142 692404002 /nfs/dbraw/zinc/40/40/02/692404002.db2.gz LCZLHOJQXCUFRR-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699844 693597872 /nfs/dbraw/zinc/59/78/72/693597872.db2.gz CVHIVVLMPDGECX-CABCVRRESA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699844 693597875 /nfs/dbraw/zinc/59/78/75/693597875.db2.gz CVHIVVLMPDGECX-CABCVRRESA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700599 693599676 /nfs/dbraw/zinc/59/96/76/693599676.db2.gz 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C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085623011 783897266 /nfs/dbraw/zinc/89/72/66/783897266.db2.gz JDDNDQHPBBOLMP-CQSZACIVSA-N 2 2 307.463 2.142 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085623011 783897272 /nfs/dbraw/zinc/89/72/72/783897272.db2.gz JDDNDQHPBBOLMP-CQSZACIVSA-N 2 2 307.463 2.142 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788026 784080796 /nfs/dbraw/zinc/08/07/96/784080796.db2.gz CMDOSULHDWUGMX-HNNXBMFYSA-N 2 2 305.422 2.064 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788026 784080798 /nfs/dbraw/zinc/08/07/98/784080798.db2.gz CMDOSULHDWUGMX-HNNXBMFYSA-N 2 2 305.422 2.064 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085812479 784103859 /nfs/dbraw/zinc/10/38/59/784103859.db2.gz DXGMPQZMFVZJEB-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085812479 784103864 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C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969023108 784693662 /nfs/dbraw/zinc/69/36/62/784693662.db2.gz NIKHEHZDCXUHLH-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111499724 785125020 /nfs/dbraw/zinc/12/50/20/785125020.db2.gz VXVRJBZHSQCZBR-KURKYZTESA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001111499724 785125024 /nfs/dbraw/zinc/12/50/24/785125024.db2.gz VXVRJBZHSQCZBR-KURKYZTESA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499724 785125031 /nfs/dbraw/zinc/12/50/31/785125031.db2.gz VXVRJBZHSQCZBR-KURKYZTESA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499724 785125036 /nfs/dbraw/zinc/12/50/36/785125036.db2.gz VXVRJBZHSQCZBR-KURKYZTESA-N 2 2 313.445 2.026 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386087 785841310 /nfs/dbraw/zinc/84/13/10/785841310.db2.gz LQNOTCMCMXZSRJ-SIXLDLHFSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386087 785841321 /nfs/dbraw/zinc/84/13/21/785841321.db2.gz LQNOTCMCMXZSRJ-SIXLDLHFSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386087 785841334 /nfs/dbraw/zinc/84/13/34/785841334.db2.gz LQNOTCMCMXZSRJ-SIXLDLHFSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386087 785841345 /nfs/dbraw/zinc/84/13/45/785841345.db2.gz LQNOTCMCMXZSRJ-SIXLDLHFSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCCCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172449 786428813 /nfs/dbraw/zinc/42/88/13/786428813.db2.gz IOEFSJTWLXWIDW-UHFFFAOYSA-N 2 2 304.438 2.164 20 30 DEEDLP C=CCCCCC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001113581861 786710032 /nfs/dbraw/zinc/71/00/32/786710032.db2.gz KRLVHPKSAYCMKB-UHFFFAOYSA-N 2 2 304.438 2.151 20 30 DEEDLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC001131560607 787650436 /nfs/dbraw/zinc/65/04/36/787650436.db2.gz VGIVVCQLYCSXJC-UHFFFAOYSA-N 2 2 322.412 2.398 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132436521 788074181 /nfs/dbraw/zinc/07/41/81/788074181.db2.gz LPSAYORMVMAJKR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132436521 788074186 /nfs/dbraw/zinc/07/41/86/788074186.db2.gz LPSAYORMVMAJKR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132436521 788074191 /nfs/dbraw/zinc/07/41/91/788074191.db2.gz LPSAYORMVMAJKR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132436521 788074196 /nfs/dbraw/zinc/07/41/96/788074196.db2.gz LPSAYORMVMAJKR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436522 788074814 /nfs/dbraw/zinc/07/48/14/788074814.db2.gz LPSAYORMVMAJKR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132436522 788074819 /nfs/dbraw/zinc/07/48/19/788074819.db2.gz LPSAYORMVMAJKR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436522 788074827 /nfs/dbraw/zinc/07/48/27/788074827.db2.gz LPSAYORMVMAJKR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436522 788074834 /nfs/dbraw/zinc/07/48/34/788074834.db2.gz LPSAYORMVMAJKR-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730005 789052433 /nfs/dbraw/zinc/05/24/33/789052433.db2.gz RQJZBROMTZUTJV-KBPBESRZSA-N 2 2 306.454 2.376 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965117 789148499 /nfs/dbraw/zinc/14/84/99/789148499.db2.gz USXUAXZXRRIASQ-ZIAGYGMSSA-N 2 2 300.406 2.397 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796428 789922909 /nfs/dbraw/zinc/92/29/09/789922909.db2.gz RREUKPWNZAFTMX-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796428 789922911 /nfs/dbraw/zinc/92/29/11/789922911.db2.gz RREUKPWNZAFTMX-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091849262 791889382 /nfs/dbraw/zinc/88/93/82/791889382.db2.gz SYVSHKNPUGJTSQ-BEFAXECRSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091849262 791889386 /nfs/dbraw/zinc/88/93/86/791889386.db2.gz SYVSHKNPUGJTSQ-BEFAXECRSA-N 2 2 324.428 2.304 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158634 792120036 /nfs/dbraw/zinc/12/00/36/792120036.db2.gz JKZPQWGEOINPFW-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158634 792120042 /nfs/dbraw/zinc/12/00/42/792120042.db2.gz JKZPQWGEOINPFW-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603861 793147195 /nfs/dbraw/zinc/14/71/95/793147195.db2.gz DAODJJKMKBSNSP-CVEARBPZSA-N 2 2 318.465 2.286 20 30 DEEDLP CC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001173352092 793685578 /nfs/dbraw/zinc/68/55/78/793685578.db2.gz FSVPTNGMXSNLEX-LJQANCHMSA-N 2 2 312.461 2.206 20 30 DEEDLP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001173352092 793685581 /nfs/dbraw/zinc/68/55/81/793685581.db2.gz FSVPTNGMXSNLEX-LJQANCHMSA-N 2 2 312.461 2.206 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688159 794190577 /nfs/dbraw/zinc/19/05/77/794190577.db2.gz MNMIPBRQMCKZSJ-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688159 794190582 /nfs/dbraw/zinc/19/05/82/794190582.db2.gz MNMIPBRQMCKZSJ-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175630694 794250701 /nfs/dbraw/zinc/25/07/01/794250701.db2.gz UHFGYTLGCIBULR-CABCVRRESA-N 2 2 306.454 2.429 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175630694 794250704 /nfs/dbraw/zinc/25/07/04/794250704.db2.gz UHFGYTLGCIBULR-CABCVRRESA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176175267 794367519 /nfs/dbraw/zinc/36/75/19/794367519.db2.gz NPCMXDDZJJORKD-HNNXBMFYSA-N 2 2 306.454 2.193 20 30 DEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350980 794411369 /nfs/dbraw/zinc/41/13/69/794411369.db2.gz NWEMEYWMNFPFPI-GFCCVEGCSA-N 2 2 312.845 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773547 794474995 /nfs/dbraw/zinc/47/49/95/794474995.db2.gz CBWBHQGQDOPVHI-YJBOKZPZSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773547 794475001 /nfs/dbraw/zinc/47/50/01/794475001.db2.gz CBWBHQGQDOPVHI-YJBOKZPZSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773547 794475008 /nfs/dbraw/zinc/47/50/08/794475008.db2.gz CBWBHQGQDOPVHI-YJBOKZPZSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773547 794475009 /nfs/dbraw/zinc/47/50/09/794475009.db2.gz CBWBHQGQDOPVHI-YJBOKZPZSA-N 2 2 316.449 2.279 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115169178 794695119 /nfs/dbraw/zinc/69/51/19/794695119.db2.gz BSOHDEGQALRGCM-HWWDLCQESA-N 2 2 316.449 2.053 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115169178 794695122 /nfs/dbraw/zinc/69/51/22/794695122.db2.gz BSOHDEGQALRGCM-HWWDLCQESA-N 2 2 316.449 2.053 20 30 DEEDLP C#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595212 794832868 /nfs/dbraw/zinc/83/28/68/794832868.db2.gz SZCVTUFWJNAQHF-UHFFFAOYSA-N 2 2 310.401 2.218 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178595387 794949317 /nfs/dbraw/zinc/94/93/17/794949317.db2.gz VGEJVWKFRILVNJ-ILXRZTDVSA-N 2 2 304.438 2.276 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517569 795124503 /nfs/dbraw/zinc/12/45/03/795124503.db2.gz QKWPIZIMZBNQMK-ZNMIVQPWSA-N 2 2 316.449 2.375 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622312 795149335 /nfs/dbraw/zinc/14/93/35/795149335.db2.gz JKGZJCJJAFUVBT-JYJNAYRXSA-N 2 2 304.438 2.379 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776768 795169101 /nfs/dbraw/zinc/16/91/01/795169101.db2.gz IMUPSLBQDWTVTG-HNNXBMFYSA-N 2 2 306.454 2.431 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776768 795169103 /nfs/dbraw/zinc/16/91/03/795169103.db2.gz IMUPSLBQDWTVTG-HNNXBMFYSA-N 2 2 306.454 2.431 20 30 DEEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180159012 795253243 /nfs/dbraw/zinc/25/32/43/795253243.db2.gz UBBWLRHCRWZFRW-UHFFFAOYSA-N 2 2 306.454 2.493 20 30 DEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182856529 795767337 /nfs/dbraw/zinc/76/73/37/795767337.db2.gz WCOMRSHTLRNMJY-HDMKZQKVSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182856529 795767344 /nfs/dbraw/zinc/76/73/44/795767344.db2.gz WCOMRSHTLRNMJY-HDMKZQKVSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184655345 796101395 /nfs/dbraw/zinc/10/13/95/796101395.db2.gz YRKSOPHBQNQDDO-GOEBONIOSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905439 796149972 /nfs/dbraw/zinc/14/99/72/796149972.db2.gz VMFXFWXXDPEBNM-DZGCQCFKSA-N 2 2 324.856 2.100 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202855888 796259582 /nfs/dbraw/zinc/25/95/82/796259582.db2.gz JJLSGKBOVVWUHO-HUUCEWRRSA-N 2 2 316.449 2.326 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185502345 796273443 /nfs/dbraw/zinc/27/34/43/796273443.db2.gz MANRMXBGFRGRDL-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC001139841409 796436013 /nfs/dbraw/zinc/43/60/13/796436013.db2.gz QENNQUPTOACXPP-UHFFFAOYSA-N 2 2 314.477 2.182 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187715070 796566894 /nfs/dbraw/zinc/56/68/94/796566894.db2.gz YTDPNDUOBHWZPK-OWCLPIDISA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187715070 796566898 /nfs/dbraw/zinc/56/68/98/796566898.db2.gz YTDPNDUOBHWZPK-OWCLPIDISA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCN1CC[C@]2(CCC[N@H+](Cc3ccn4cc[nH+]c4c3)C2)C1=O ZINC001141048235 796625941 /nfs/dbraw/zinc/62/59/41/796625941.db2.gz IEQKBFYNKCUVFT-IBGZPJMESA-N 2 2 324.428 2.335 20 30 DEEDLP C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccn4cc[nH+]c4c3)C2)C1=O ZINC001141048235 796625945 /nfs/dbraw/zinc/62/59/45/796625945.db2.gz IEQKBFYNKCUVFT-IBGZPJMESA-N 2 2 324.428 2.335 20 30 DEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321667 797180712 /nfs/dbraw/zinc/18/07/12/797180712.db2.gz YBEWVCXABDQZNO-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321667 797180716 /nfs/dbraw/zinc/18/07/16/797180716.db2.gz YBEWVCXABDQZNO-HNNXBMFYSA-N 2 2 312.417 2.447 20 30 DEEDLP C[NH+](C)C1(CNc2ncc(CC#N)cc2Cl)CC[NH+](C)CC1 ZINC001156188497 797943512 /nfs/dbraw/zinc/94/35/12/797943512.db2.gz ZFUCZGHHXLLSBB-UHFFFAOYSA-N 2 2 321.856 2.239 20 30 DEEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242910 798031651 /nfs/dbraw/zinc/03/16/51/798031651.db2.gz OZWIACMMWAIWTA-QGZVFWFLSA-N 2 2 316.449 2.028 20 30 DEEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242910 798031658 /nfs/dbraw/zinc/03/16/58/798031658.db2.gz OZWIACMMWAIWTA-QGZVFWFLSA-N 2 2 316.449 2.028 20 30 DEEDLP C[NH+]1CCN(c2cccc(NCCc3ccc(C#N)cc3)[nH+]2)CC1 ZINC001156837248 798092613 /nfs/dbraw/zinc/09/26/13/798092613.db2.gz DLHUXXCBAJZIDY-UHFFFAOYSA-N 2 2 321.428 2.360 20 30 DEEDLP C[NH+]1CCN(c2cccc(NCC#Cc3ccccc3)[nH+]2)CC1 ZINC001159376369 798558678 /nfs/dbraw/zinc/55/86/78/798558678.db2.gz ZYBRVQGLWUQHAW-UHFFFAOYSA-N 2 2 306.413 2.297 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(SC)cc[nH+]1 ZINC001159924537 798627045 /nfs/dbraw/zinc/62/70/45/798627045.db2.gz SLKHUNBPOMJHEE-ZDUSSCGKSA-N 2 2 309.435 2.442 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125087 798718179 /nfs/dbraw/zinc/71/81/79/798718179.db2.gz GCWLVBNZCIXRNI-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125087 798718181 /nfs/dbraw/zinc/71/81/81/798718181.db2.gz GCWLVBNZCIXRNI-HUUCEWRRSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785335 798935607 /nfs/dbraw/zinc/93/56/07/798935607.db2.gz MSANKBOZUXCJGA-UHFFFAOYSA-N 2 2 316.449 2.365 20 30 DEEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785335 798935613 /nfs/dbraw/zinc/93/56/13/798935613.db2.gz MSANKBOZUXCJGA-UHFFFAOYSA-N 2 2 316.449 2.365 20 30 DEEDLP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)c(C#N)c(C)c1Cl ZINC001161866939 798952011 /nfs/dbraw/zinc/95/20/11/798952011.db2.gz HFYBPZZIULCSFA-UHFFFAOYSA-N 2 2 307.829 2.059 20 30 DEEDLP CC#CC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164541180 799619125 /nfs/dbraw/zinc/61/91/25/799619125.db2.gz VFMNUBMISHPDQV-UHFFFAOYSA-N 2 2 324.428 2.156 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203763501 800118866 /nfs/dbraw/zinc/11/88/66/800118866.db2.gz ASYJYGWERNPHOA-UHFFFAOYSA-N 2 2 324.472 2.350 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210603385 801429618 /nfs/dbraw/zinc/42/96/18/801429618.db2.gz HHOBIBCKOXQFAC-RHSMWYFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210603385 801429622 /nfs/dbraw/zinc/42/96/22/801429622.db2.gz HHOBIBCKOXQFAC-RHSMWYFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C#Cc1cccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC001231662118 801707266 /nfs/dbraw/zinc/70/72/66/801707266.db2.gz BCHYLRDHYUTQHB-UHFFFAOYSA-N 2 2 307.397 2.394 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216397021 801970310 /nfs/dbraw/zinc/97/03/10/801970310.db2.gz MJBHAUBWUGIZKB-ZIAGYGMSSA-N 2 2 304.438 2.090 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221979067 802631406 /nfs/dbraw/zinc/63/14/06/802631406.db2.gz OLVBISJEOKCGDA-YSVLISHTSA-N 2 2 316.449 2.148 20 30 DEEDLP 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1144897947 /nfs/dbraw/zinc/89/79/47/1144897947.db2.gz BJXHMPKKWOIGFD-INIZCTEOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001281570288 1144897949 /nfs/dbraw/zinc/89/79/49/1144897949.db2.gz BJXHMPKKWOIGFD-INIZCTEOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281669799 1144904638 /nfs/dbraw/zinc/90/46/38/1144904638.db2.gz KCTGXJHZUUFIDM-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281669799 1144904642 /nfs/dbraw/zinc/90/46/42/1144904642.db2.gz KCTGXJHZUUFIDM-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C#CC[NH2+]C[C@@H](CCCC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001282647533 1145110094 /nfs/dbraw/zinc/11/00/94/1145110094.db2.gz JIIDWXYQQTVIQY-QGZVFWFLSA-N 2 2 324.428 2.384 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001366035842 1147021124 /nfs/dbraw/zinc/02/11/24/1147021124.db2.gz ULNZFSSEIDXHMM-CQSZACIVSA-N 2 2 324.856 2.164 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317149908 1147666929 /nfs/dbraw/zinc/66/69/29/1147666929.db2.gz LKBXYMHQPJJAQD-DLBZAZTESA-N 2 2 318.465 2.485 20 30 DEEDLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330008540 539932798 /nfs/dbraw/zinc/93/27/98/539932798.db2.gz GRUUQRMKZFMXBY-HZPDHXFCSA-N 2 2 320.437 2.067 20 30 DEEDLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330008540 539932800 /nfs/dbraw/zinc/93/28/00/539932800.db2.gz GRUUQRMKZFMXBY-HZPDHXFCSA-N 2 2 320.437 2.067 20 30 DEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000081571366 355438604 /nfs/dbraw/zinc/43/86/04/355438604.db2.gz RKBIWPWLDHHUTG-BQFCYCMXSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000081571366 355438610 /nfs/dbraw/zinc/43/86/10/355438610.db2.gz RKBIWPWLDHHUTG-BQFCYCMXSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000081571366 355438614 /nfs/dbraw/zinc/43/86/14/355438614.db2.gz RKBIWPWLDHHUTG-BQFCYCMXSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000081571366 355438617 /nfs/dbraw/zinc/43/86/17/355438617.db2.gz RKBIWPWLDHHUTG-BQFCYCMXSA-N 2 2 322.497 2.093 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000593323920 358054302 /nfs/dbraw/zinc/05/43/02/358054302.db2.gz SXWYPIWOTZLYPH-PKOBYXMFSA-N 3 2 312.461 2.240 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000593323918 358054482 /nfs/dbraw/zinc/05/44/82/358054482.db2.gz SXWYPIWOTZLYPH-IEBWSBKVSA-N 3 2 312.461 2.240 20 30 DEEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000593999208 358186771 /nfs/dbraw/zinc/18/67/71/358186771.db2.gz AKUYGLDNKVBNKG-HNNXBMFYSA-N 2 2 301.434 2.444 20 30 DEEDLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594441917 358272634 /nfs/dbraw/zinc/27/26/34/358272634.db2.gz YKJLCVYSAHJEJU-HNNXBMFYSA-N 2 2 311.389 2.437 20 30 DEEDLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+](C)C)cc1 ZINC000598721301 359305699 /nfs/dbraw/zinc/30/56/99/359305699.db2.gz VBFNLGXEVPRHNS-IRXDYDNUSA-N 2 2 303.450 2.488 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257819 361293715 /nfs/dbraw/zinc/29/37/15/361293715.db2.gz GKRLWBDNAKFQRT-MRXNPFEDSA-N 2 2 309.373 2.030 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257819 361293717 /nfs/dbraw/zinc/29/37/17/361293717.db2.gz GKRLWBDNAKFQRT-MRXNPFEDSA-N 2 2 309.373 2.030 20 30 DEEDLP C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000611393552 361591218 /nfs/dbraw/zinc/59/12/18/361591218.db2.gz WKNFBZPREPKAPV-DNVCBOLYSA-N 2 2 313.445 2.494 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794042 194284263 /nfs/dbraw/zinc/28/42/63/194284263.db2.gz PLJIWTDWVRYGRX-AWEZNQCLSA-N 2 2 323.400 2.419 20 30 DEEDLP CC(C)CCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000085262473 401913197 /nfs/dbraw/zinc/91/31/97/401913197.db2.gz SSOLNCFRIZCWHJ-UHFFFAOYSA-N 2 2 319.449 2.326 20 30 DEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1C[C@@H]1C ZINC000262575291 402727323 /nfs/dbraw/zinc/72/73/23/402727323.db2.gz OBWREWPSMCEWQP-RRFJBIMHSA-N 2 2 304.438 2.380 20 30 DEEDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2F)CCCO1 ZINC000278075880 402853240 /nfs/dbraw/zinc/85/32/40/402853240.db2.gz ZOPCVHAVRMYGBQ-AWEZNQCLSA-N 2 2 305.397 2.288 20 30 DEEDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2F)CCCO1 ZINC000278075880 402853242 /nfs/dbraw/zinc/85/32/42/402853242.db2.gz ZOPCVHAVRMYGBQ-AWEZNQCLSA-N 2 2 305.397 2.288 20 30 DEEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265475670 402922056 /nfs/dbraw/zinc/92/20/56/402922056.db2.gz JIMOADZHLDYSMD-UHFFFAOYSA-N 2 2 309.373 2.099 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273573679 403016646 /nfs/dbraw/zinc/01/66/46/403016646.db2.gz LGCKQDOETXJDRK-CYBMUJFWSA-N 2 2 318.417 2.480 20 30 DEEDLP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000281634007 403077181 /nfs/dbraw/zinc/07/71/81/403077181.db2.gz IMVGZNAWQUMVQG-HUUCEWRRSA-N 2 2 317.433 2.156 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282534638 403156101 /nfs/dbraw/zinc/15/61/01/403156101.db2.gz QVSWVCSSHLJNKW-KRWDZBQOSA-N 2 2 315.461 2.179 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282534638 403156102 /nfs/dbraw/zinc/15/61/02/403156102.db2.gz QVSWVCSSHLJNKW-KRWDZBQOSA-N 2 2 315.461 2.179 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000270843106 403230533 /nfs/dbraw/zinc/23/05/33/403230533.db2.gz GGCQDVXZCVTFGK-GOSISDBHSA-N 2 2 309.417 2.074 20 30 DEEDLP CC(C)(C)NC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277229731 403198364 /nfs/dbraw/zinc/19/83/64/403198364.db2.gz GPJJMZUYBRARLT-OAHLLOKOSA-N 2 2 320.506 2.307 20 30 DEEDLP CC(C)(C)NC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277229731 403198365 /nfs/dbraw/zinc/19/83/65/403198365.db2.gz GPJJMZUYBRARLT-OAHLLOKOSA-N 2 2 320.506 2.307 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299544073 403562471 /nfs/dbraw/zinc/56/24/71/403562471.db2.gz JYAKOKJCYSSMFH-GOSISDBHSA-N 2 2 314.477 2.492 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299544073 403562475 /nfs/dbraw/zinc/56/24/75/403562475.db2.gz JYAKOKJCYSSMFH-GOSISDBHSA-N 2 2 314.477 2.492 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124748 403967937 /nfs/dbraw/zinc/96/79/37/403967937.db2.gz DKFHZGGYCKMQGW-MSOLQXFVSA-N 2 2 319.493 2.361 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124748 403967943 /nfs/dbraw/zinc/96/79/43/403967943.db2.gz DKFHZGGYCKMQGW-MSOLQXFVSA-N 2 2 319.493 2.361 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873776 404071754 /nfs/dbraw/zinc/07/17/54/404071754.db2.gz ZQXPNHLOSJMMEX-YXJHDRRASA-N 2 2 315.417 2.103 20 30 DEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873776 404071760 /nfs/dbraw/zinc/07/17/60/404071760.db2.gz ZQXPNHLOSJMMEX-YXJHDRRASA-N 2 2 315.417 2.103 20 30 DEEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328617305 404114785 /nfs/dbraw/zinc/11/47/85/404114785.db2.gz UBFGQJHWWBUZMC-SOUVJXGZSA-N 2 2 319.453 2.137 20 30 DEEDLP CC1CC[NH+](CC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000328632419 404119308 /nfs/dbraw/zinc/11/93/08/404119308.db2.gz RTYJOEISPRHMAM-GDBMZVCRSA-N 2 2 320.437 2.329 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000328782514 404149366 /nfs/dbraw/zinc/14/93/66/404149366.db2.gz NFJRVQTUQZRJCT-ZFWWWQNUSA-N 2 2 318.421 2.225 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C#N)cs1 ZINC000355207430 404283472 /nfs/dbraw/zinc/28/34/72/404283472.db2.gz DVQIPLRDUPQPMD-KBMXLJTQSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C#N)cs1 ZINC000355207430 404283484 /nfs/dbraw/zinc/28/34/84/404283484.db2.gz DVQIPLRDUPQPMD-KBMXLJTQSA-N 2 2 305.447 2.303 20 30 DEEDLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202026 404496979 /nfs/dbraw/zinc/49/69/79/404496979.db2.gz GBCCRCMZQNCKBW-QZTJIDSGSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202026 404496991 /nfs/dbraw/zinc/49/69/91/404496991.db2.gz GBCCRCMZQNCKBW-QZTJIDSGSA-N 2 2 301.434 2.446 20 30 DEEDLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780887 404451581 /nfs/dbraw/zinc/45/15/81/404451581.db2.gz SEKBGKORIGJFHQ-XHSDSOJGSA-N 2 2 319.453 2.133 20 30 DEEDLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780887 404451587 /nfs/dbraw/zinc/45/15/87/404451587.db2.gz SEKBGKORIGJFHQ-XHSDSOJGSA-N 2 2 319.453 2.133 20 30 DEEDLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780887 404451593 /nfs/dbraw/zinc/45/15/93/404451593.db2.gz SEKBGKORIGJFHQ-XHSDSOJGSA-N 2 2 319.453 2.133 20 30 DEEDLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000329780887 404451600 /nfs/dbraw/zinc/45/16/00/404451600.db2.gz SEKBGKORIGJFHQ-XHSDSOJGSA-N 2 2 319.453 2.133 20 30 DEEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000329827648 404463913 /nfs/dbraw/zinc/46/39/13/404463913.db2.gz RPTAEIIZIJKJRR-OAHLLOKOSA-N 2 2 322.453 2.011 20 30 DEEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000329827648 404463919 /nfs/dbraw/zinc/46/39/19/404463919.db2.gz RPTAEIIZIJKJRR-OAHLLOKOSA-N 2 2 322.453 2.011 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350780588 404465973 /nfs/dbraw/zinc/46/59/73/404465973.db2.gz DUDPBRLSACOABM-WMZOPIPTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350780588 404465978 /nfs/dbraw/zinc/46/59/78/404465978.db2.gz DUDPBRLSACOABM-WMZOPIPTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350780588 404465989 /nfs/dbraw/zinc/46/59/89/404465989.db2.gz DUDPBRLSACOABM-WMZOPIPTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350780588 404465997 /nfs/dbraw/zinc/46/59/97/404465997.db2.gz DUDPBRLSACOABM-WMZOPIPTSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350780587 404466411 /nfs/dbraw/zinc/46/64/11/404466411.db2.gz DUDPBRLSACOABM-SJLPKXTDSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350780587 404466413 /nfs/dbraw/zinc/46/64/13/404466413.db2.gz DUDPBRLSACOABM-SJLPKXTDSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350780587 404466415 /nfs/dbraw/zinc/46/64/15/404466415.db2.gz DUDPBRLSACOABM-SJLPKXTDSA-N 2 2 321.509 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350780587 404466416 /nfs/dbraw/zinc/46/64/16/404466416.db2.gz DUDPBRLSACOABM-SJLPKXTDSA-N 2 2 321.509 2.463 20 30 DEEDLP Cc1ccc(N2CCC([NH2+]Cc3nc(C#N)cs3)CC2)[nH+]c1 ZINC000352812202 404640032 /nfs/dbraw/zinc/64/00/32/404640032.db2.gz WITBUKYDYVDBPW-UHFFFAOYSA-N 2 2 313.430 2.477 20 30 DEEDLP CCC(CC)[C@@H](CNc1cc(C)[nH+]cc1C#N)[NH+]1CCOCC1 ZINC000425210367 405258485 /nfs/dbraw/zinc/25/84/85/405258485.db2.gz QUXHOBUPILMUAC-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638847130 405711282 /nfs/dbraw/zinc/71/12/82/405711282.db2.gz LTZGZPNOAYSSSU-AEFFLSMTSA-N 2 2 313.445 2.246 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638847130 405711283 /nfs/dbraw/zinc/71/12/83/405711283.db2.gz LTZGZPNOAYSSSU-AEFFLSMTSA-N 2 2 313.445 2.246 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423386633 405785293 /nfs/dbraw/zinc/78/52/93/405785293.db2.gz MDEHFBHGJKIMBS-HKUYNNGSSA-N 3 2 312.461 2.382 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495022421 405802291 /nfs/dbraw/zinc/80/22/91/405802291.db2.gz YFZMQIKDAYIWAK-OAHLLOKOSA-N 2 2 323.400 2.490 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495022421 405802298 /nfs/dbraw/zinc/80/22/98/405802298.db2.gz YFZMQIKDAYIWAK-OAHLLOKOSA-N 2 2 323.400 2.490 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068501 406249910 /nfs/dbraw/zinc/24/99/10/406249910.db2.gz GBOWVBLVUYVYAN-DZGCQCFKSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068501 406249913 /nfs/dbraw/zinc/24/99/13/406249913.db2.gz GBOWVBLVUYVYAN-DZGCQCFKSA-N 2 2 323.400 2.108 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000536068644 406250231 /nfs/dbraw/zinc/25/02/31/406250231.db2.gz JSNDDCQPTCHUCG-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000536068644 406250236 /nfs/dbraw/zinc/25/02/36/406250236.db2.gz JSNDDCQPTCHUCG-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)OCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000490900724 406505260 /nfs/dbraw/zinc/50/52/60/406505260.db2.gz XMLCBTVUGWEDMP-UHFFFAOYSA-N 2 2 311.385 2.031 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(CO)cc(C)[nH+]1)C(C)C ZINC000647854309 407062349 /nfs/dbraw/zinc/06/23/49/407062349.db2.gz KXUSLQUBHSSQKG-QGZVFWFLSA-N 2 2 303.450 2.415 20 30 DEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(C#N)n3)[nH+]c2)C1 ZINC000602574783 422434564 /nfs/dbraw/zinc/43/45/64/422434564.db2.gz NHHXMENYJCRSRR-QGZVFWFLSA-N 2 2 322.416 2.101 20 30 DEEDLP C=CC[C@@]1(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)CCC[NH2+]1 ZINC000662675632 425709164 /nfs/dbraw/zinc/70/91/64/425709164.db2.gz OCAQTPCOLXRFET-SFHVURJKSA-N 2 2 316.449 2.242 20 30 DEEDLP C[NH+]1CCN(c2ccc(NCc3cc(C#N)cs3)[nH+]c2)CC1 ZINC000131561508 281967075 /nfs/dbraw/zinc/96/70/75/281967075.db2.gz XPDGXABTGIYAAA-UHFFFAOYSA-N 2 2 313.430 2.379 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001378220470 1152229573 /nfs/dbraw/zinc/22/95/73/1152229573.db2.gz XNBHPOYSSDSQEE-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001378220470 1152229577 /nfs/dbraw/zinc/22/95/77/1152229577.db2.gz XNBHPOYSSDSQEE-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001378220470 1152229580 /nfs/dbraw/zinc/22/95/80/1152229580.db2.gz XNBHPOYSSDSQEE-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001378220470 1152229581 /nfs/dbraw/zinc/22/95/81/1152229581.db2.gz XNBHPOYSSDSQEE-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001369523687 1149015026 /nfs/dbraw/zinc/01/50/26/1149015026.db2.gz DBSYXMHVJFBHFM-AWEZNQCLSA-N 2 2 303.878 2.248 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001369523687 1149015032 /nfs/dbraw/zinc/01/50/32/1149015032.db2.gz DBSYXMHVJFBHFM-AWEZNQCLSA-N 2 2 303.878 2.248 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124318562 524279366 /nfs/dbraw/zinc/27/93/66/524279366.db2.gz RJCLFIQQFVQIJW-AWEZNQCLSA-N 2 2 311.389 2.104 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124318562 524279374 /nfs/dbraw/zinc/27/93/74/524279374.db2.gz RJCLFIQQFVQIJW-AWEZNQCLSA-N 2 2 311.389 2.104 20 30 DEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262239702 526367281 /nfs/dbraw/zinc/36/72/81/526367281.db2.gz NVIUZSYAZSJSJF-HRCADAONSA-N 2 2 303.454 2.407 20 30 DEEDLP C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261949681 526368631 /nfs/dbraw/zinc/36/86/31/526368631.db2.gz HAGFZJBJZFUZFH-SOUVJXGZSA-N 2 2 303.454 2.388 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccsc1)[NH+](C)C ZINC000264066022 526415737 /nfs/dbraw/zinc/41/57/37/526415737.db2.gz QVFMQSWRCBHWIL-CQSZACIVSA-N 2 2 306.435 2.309 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417904962 526451620 /nfs/dbraw/zinc/45/16/20/526451620.db2.gz WZXOEGOFIOCSIX-UHFFFAOYSA-N 2 2 301.434 2.128 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375640502 527043129 /nfs/dbraw/zinc/04/31/29/527043129.db2.gz BLIGJUCVYAYKCD-OAHLLOKOSA-N 2 2 322.497 2.199 20 30 DEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869233 527832357 /nfs/dbraw/zinc/83/23/57/527832357.db2.gz PRBPCWQGVXESRS-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869233 527832361 /nfs/dbraw/zinc/83/23/61/527832361.db2.gz PRBPCWQGVXESRS-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869233 527832364 /nfs/dbraw/zinc/83/23/64/527832364.db2.gz PRBPCWQGVXESRS-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869233 527832366 /nfs/dbraw/zinc/83/23/66/527832366.db2.gz PRBPCWQGVXESRS-YOEHRIQHSA-N 2 2 314.433 2.301 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369742001 1149128818 /nfs/dbraw/zinc/12/88/18/1149128818.db2.gz DHBAUSNCUBEBPH-QWHCGFSZSA-N 2 2 310.829 2.064 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972742695 625517509 /nfs/dbraw/zinc/51/75/09/625517509.db2.gz KHDMSYYFAHIBBL-CYBMUJFWSA-N 2 2 322.840 2.046 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972742695 625517516 /nfs/dbraw/zinc/51/75/16/625517516.db2.gz KHDMSYYFAHIBBL-CYBMUJFWSA-N 2 2 322.840 2.046 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970396286 623438854 /nfs/dbraw/zinc/43/88/54/623438854.db2.gz OWIMVGQFMMWZEY-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602440 623814861 /nfs/dbraw/zinc/81/48/61/623814861.db2.gz HMTMOASPBIFVQR-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602440 623814868 /nfs/dbraw/zinc/81/48/68/623814868.db2.gz HMTMOASPBIFVQR-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602440 623814876 /nfs/dbraw/zinc/81/48/76/623814876.db2.gz HMTMOASPBIFVQR-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602440 623814887 /nfs/dbraw/zinc/81/48/87/623814887.db2.gz HMTMOASPBIFVQR-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645753 623894387 /nfs/dbraw/zinc/89/43/87/623894387.db2.gz MNKCULDOYYGCKS-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645753 623894394 /nfs/dbraw/zinc/89/43/94/623894394.db2.gz MNKCULDOYYGCKS-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722992 624005593 /nfs/dbraw/zinc/00/55/93/624005593.db2.gz RBLKXIVQHAMZDH-WBVHZDCISA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722992 624005594 /nfs/dbraw/zinc/00/55/94/624005594.db2.gz RBLKXIVQHAMZDH-WBVHZDCISA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000998970210 634452221 /nfs/dbraw/zinc/45/22/21/634452221.db2.gz CTTDQLAMHQCCDG-UHFFFAOYSA-N 2 2 304.438 2.082 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365378 633242682 /nfs/dbraw/zinc/24/26/82/633242682.db2.gz URDSELSOLMOAKK-HUUCEWRRSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996522133 633277030 /nfs/dbraw/zinc/27/70/30/633277030.db2.gz YCSGJGAKRIBEMW-CYBMUJFWSA-N 2 2 324.856 2.266 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998043107 634122542 /nfs/dbraw/zinc/12/25/42/634122542.db2.gz WTKXAMTTYDIKMZ-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998043107 634122545 /nfs/dbraw/zinc/12/25/45/634122545.db2.gz WTKXAMTTYDIKMZ-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998043107 634122549 /nfs/dbraw/zinc/12/25/49/634122549.db2.gz WTKXAMTTYDIKMZ-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998043107 634122555 /nfs/dbraw/zinc/12/25/55/634122555.db2.gz WTKXAMTTYDIKMZ-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998064381 634129231 /nfs/dbraw/zinc/12/92/31/634129231.db2.gz RXCOBTHRJZFVJS-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027878835 634848651 /nfs/dbraw/zinc/84/86/51/634848651.db2.gz IYAJUQKGNDAKCX-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027878835 634848654 /nfs/dbraw/zinc/84/86/54/634848654.db2.gz IYAJUQKGNDAKCX-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027878835 634848659 /nfs/dbraw/zinc/84/86/59/634848659.db2.gz IYAJUQKGNDAKCX-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027878835 634848662 /nfs/dbraw/zinc/84/86/62/634848662.db2.gz IYAJUQKGNDAKCX-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000921860680 635639979 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2 316.449 2.234 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000985696330 639589534 /nfs/dbraw/zinc/58/95/34/639589534.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000985696330 639589540 /nfs/dbraw/zinc/58/95/40/639589540.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000985696330 639589543 /nfs/dbraw/zinc/58/95/43/639589543.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000985696330 639589545 /nfs/dbraw/zinc/58/95/45/639589545.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000986287217 639870510 /nfs/dbraw/zinc/87/05/10/639870510.db2.gz KKAYWAMUGMXZLW-ZBFHGGJFSA-N 2 2 312.417 2.411 20 30 DEEDLP CCO[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000926958876 641538287 /nfs/dbraw/zinc/53/82/87/641538287.db2.gz HXIDSRXMHRHKCY-FUHWJXTLSA-N 2 2 301.434 2.492 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000778633352 642413945 /nfs/dbraw/zinc/41/39/45/642413945.db2.gz BTYNWALCZXUMKJ-IRXDYDNUSA-N 2 2 306.450 2.138 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000778633352 642413947 /nfs/dbraw/zinc/41/39/47/642413947.db2.gz BTYNWALCZXUMKJ-IRXDYDNUSA-N 2 2 306.450 2.138 20 30 DEEDLP C[C@@H]1C[C@H](CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000783039130 642956004 /nfs/dbraw/zinc/95/60/04/642956004.db2.gz HOASPKDJAZLPQU-UKRRQHHQSA-N 2 2 305.422 2.200 20 30 DEEDLP C[C@H]1C[C@@H](CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000783039132 642956463 /nfs/dbraw/zinc/95/64/63/642956463.db2.gz HOASPKDJAZLPQU-ZFWWWQNUSA-N 2 2 305.422 2.200 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314773 646518987 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NHDLLBDFOUNAJB-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180977 649179192 /nfs/dbraw/zinc/17/91/92/649179192.db2.gz NHDLLBDFOUNAJB-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP CCOc1ccc(O)c(/C=N/CC[N@H+](C)CCC[NH+](C)C)c1 ZINC000849171156 651616337 /nfs/dbraw/zinc/61/63/37/651616337.db2.gz YUWZXZHJRFEGRR-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP CCOc1ccc(O)c(/C=N/CC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000849171156 651616339 /nfs/dbraw/zinc/61/63/39/651616339.db2.gz YUWZXZHJRFEGRR-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001394694728 1158686626 /nfs/dbraw/zinc/68/66/26/1158686626.db2.gz OVCAWQIDKAHCAS-ZFWWWQNUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001394694728 1158686635 /nfs/dbraw/zinc/68/66/35/1158686635.db2.gz OVCAWQIDKAHCAS-ZFWWWQNUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001394694728 1158686646 /nfs/dbraw/zinc/68/66/46/1158686646.db2.gz OVCAWQIDKAHCAS-ZFWWWQNUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001394694728 1158686656 /nfs/dbraw/zinc/68/66/56/1158686656.db2.gz OVCAWQIDKAHCAS-ZFWWWQNUSA-N 2 2 313.873 2.192 20 30 DEEDLP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000104167892 684058654 /nfs/dbraw/zinc/05/86/54/684058654.db2.gz CRRFPPFGSYKTSG-CJNGLKHVSA-N 2 2 306.429 2.475 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001054794436 694045716 /nfs/dbraw/zinc/04/57/16/694045716.db2.gz OGXBNEMARXYXLH-SMDDNHRTSA-N 2 2 324.856 2.116 20 30 DEEDLP C#Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000872209833 688953207 /nfs/dbraw/zinc/95/32/07/688953207.db2.gz WZDFCXMSDKVRDE-OAQYLSRUSA-N 2 2 320.436 2.395 20 30 DEEDLP C#Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000872209833 688953208 /nfs/dbraw/zinc/95/32/08/688953208.db2.gz WZDFCXMSDKVRDE-OAQYLSRUSA-N 2 2 320.436 2.395 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001032727084 689239434 /nfs/dbraw/zinc/23/94/34/689239434.db2.gz XADCWDZMLQJWHU-ULQDDVLXSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001032727084 689239437 /nfs/dbraw/zinc/23/94/37/689239437.db2.gz XADCWDZMLQJWHU-ULQDDVLXSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032727084 689239442 /nfs/dbraw/zinc/23/94/42/689239442.db2.gz XADCWDZMLQJWHU-ULQDDVLXSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032727084 689239445 /nfs/dbraw/zinc/23/94/45/689239445.db2.gz XADCWDZMLQJWHU-ULQDDVLXSA-N 2 2 305.466 2.112 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036104070 690261340 /nfs/dbraw/zinc/26/13/40/690261340.db2.gz GASHFYLGGRQDQB-HUUCEWRRSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001036122090 690267957 /nfs/dbraw/zinc/26/79/57/690267957.db2.gz HENMSTYLCIGWAE-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751021 690458523 /nfs/dbraw/zinc/45/85/23/690458523.db2.gz WUUKJAZISOGYBF-GUYCJALGSA-N 2 2 310.401 2.285 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751021 690458525 /nfs/dbraw/zinc/45/85/25/690458525.db2.gz WUUKJAZISOGYBF-GUYCJALGSA-N 2 2 310.401 2.285 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001037872949 690629191 /nfs/dbraw/zinc/62/91/91/690629191.db2.gz UJRIRYRONSVSRW-HZPDHXFCSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001037876444 690630540 /nfs/dbraw/zinc/63/05/40/690630540.db2.gz AGDMHGTVXJWBAT-CABCVRRESA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1CC ZINC001037968095 690652481 /nfs/dbraw/zinc/65/24/81/690652481.db2.gz LMRWXWMGEILHCM-LSDHHAIUSA-N 2 2 304.438 2.053 20 30 DEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccccc1C#N ZINC000880134598 690813477 /nfs/dbraw/zinc/81/34/77/690813477.db2.gz NNQJACAGJYFIDB-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccccc1C#N ZINC000880134598 690813481 /nfs/dbraw/zinc/81/34/81/690813481.db2.gz NNQJACAGJYFIDB-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccccc1C#N ZINC000880134598 690813487 /nfs/dbraw/zinc/81/34/87/690813487.db2.gz NNQJACAGJYFIDB-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000880134598 690813492 /nfs/dbraw/zinc/81/34/92/690813492.db2.gz NNQJACAGJYFIDB-IRXDYDNUSA-N 2 2 312.417 2.055 20 30 DEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443618 691248644 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20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050160621 693126216 /nfs/dbraw/zinc/12/62/16/693126216.db2.gz LGZVKGGUZYOYHS-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050160621 693126222 /nfs/dbraw/zinc/12/62/22/693126222.db2.gz LGZVKGGUZYOYHS-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099748 693689620 /nfs/dbraw/zinc/68/96/20/693689620.db2.gz YMGYKQUWFCYIQW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099748 693689623 /nfs/dbraw/zinc/68/96/23/693689623.db2.gz YMGYKQUWFCYIQW-RDJZCZTQSA-N 2 2 316.449 2.231 20 30 DEEDLP CC1CC[NH+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001331962432 1149801167 /nfs/dbraw/zinc/80/11/67/1149801167.db2.gz GSSWVBOVEOLUAV-UHFFFAOYSA-N 2 2 314.433 2.208 20 30 DEEDLP C=CC[NH+]1CCC(N(CCC)C(=O)Cc2[nH]c[nH+]c2C)CC1 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C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089529668 783187104 /nfs/dbraw/zinc/18/71/04/783187104.db2.gz VPEBLJHSODVZEQ-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089529668 783187116 /nfs/dbraw/zinc/18/71/16/783187116.db2.gz VPEBLJHSODVZEQ-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426289 777019123 /nfs/dbraw/zinc/01/91/23/777019123.db2.gz QPIINTQIFYMFMV-AWEZNQCLSA-N 2 2 304.438 2.041 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426289 777019126 /nfs/dbraw/zinc/01/91/26/777019126.db2.gz QPIINTQIFYMFMV-AWEZNQCLSA-N 2 2 304.438 2.041 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571330 779355805 /nfs/dbraw/zinc/35/58/05/779355805.db2.gz OIXIOHOMEAQVJO-JKSUJKDBSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571330 779355810 /nfs/dbraw/zinc/35/58/10/779355810.db2.gz OIXIOHOMEAQVJO-JKSUJKDBSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001088324812 779953590 /nfs/dbraw/zinc/95/35/90/779953590.db2.gz AGJLXNYFTLFXJD-OAHLLOKOSA-N 2 2 324.856 2.456 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938183 783525781 /nfs/dbraw/zinc/52/57/81/783525781.db2.gz OYHIVOQMSKCJOG-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099996 783561821 /nfs/dbraw/zinc/56/18/21/783561821.db2.gz FXPIVOWKUBXSOH-XJKSGUPXSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099996 783561827 /nfs/dbraw/zinc/56/18/27/783561827.db2.gz FXPIVOWKUBXSOH-XJKSGUPXSA-N 2 2 312.417 2.269 20 30 DEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3C#N)CC1)C2 ZINC001169125456 785046249 /nfs/dbraw/zinc/04/62/49/785046249.db2.gz IPWHNOPDMAZSFK-BCDXTJNWSA-N 2 2 310.445 2.305 20 30 DEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3C#N)CC1)C2 ZINC001169125456 785046259 /nfs/dbraw/zinc/04/62/59/785046259.db2.gz IPWHNOPDMAZSFK-BCDXTJNWSA-N 2 2 310.445 2.305 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071840 785378057 /nfs/dbraw/zinc/37/80/57/785378057.db2.gz HDUZQEJFGRNJDS-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071840 785378064 /nfs/dbraw/zinc/37/80/64/785378064.db2.gz HDUZQEJFGRNJDS-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982193 788247406 /nfs/dbraw/zinc/24/74/06/788247406.db2.gz MTQNDNYQTSIRAY-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132983109 788247816 /nfs/dbraw/zinc/24/78/16/788247816.db2.gz WYBKVKMHYASVCM-JKSUJKDBSA-N 2 2 324.428 2.045 20 30 DEEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841371 789521681 /nfs/dbraw/zinc/52/16/81/789521681.db2.gz ZOAOQEULTZOENL-JKSUJKDBSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071776545 789914928 /nfs/dbraw/zinc/91/49/28/789914928.db2.gz VEUKKCVAGAPJJP-UKRRQHHQSA-N 2 2 305.422 2.110 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071776545 789914930 /nfs/dbraw/zinc/91/49/30/789914930.db2.gz VEUKKCVAGAPJJP-UKRRQHHQSA-N 2 2 305.422 2.110 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099325416 792171044 /nfs/dbraw/zinc/17/10/44/792171044.db2.gz UKPLBYZLRZJXDR-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099325416 792171050 /nfs/dbraw/zinc/17/10/50/792171050.db2.gz UKPLBYZLRZJXDR-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323768 792171610 /nfs/dbraw/zinc/17/16/10/792171610.db2.gz ASVKUDJIZNPUEF-AWEZNQCLSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323768 792171612 /nfs/dbraw/zinc/17/16/12/792171612.db2.gz ASVKUDJIZNPUEF-AWEZNQCLSA-N 2 2 304.438 2.053 20 30 DEEDLP CCCCCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069616 792999760 /nfs/dbraw/zinc/99/97/60/792999760.db2.gz RKGBDRLUTFHKSA-UHFFFAOYSA-N 2 2 306.454 2.338 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576956 793138223 /nfs/dbraw/zinc/13/82/23/793138223.db2.gz MYOLLHWCFNARPA-HOTGVXAUSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597296 793144838 /nfs/dbraw/zinc/14/48/38/793144838.db2.gz YAGSPLBNXABBES-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP CCCCCCCCN(CC[NH3+])C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172129313 793320002 /nfs/dbraw/zinc/32/00/02/793320002.db2.gz UEIXOERLJKTRNH-AYHJJNSGSA-N 2 2 311.514 2.469 20 30 DEEDLP CCCCCCCCN(CC[NH3+])C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172129313 793320013 /nfs/dbraw/zinc/32/00/13/793320013.db2.gz UEIXOERLJKTRNH-AYHJJNSGSA-N 2 2 311.514 2.469 20 30 DEEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496733 793437583 /nfs/dbraw/zinc/43/75/83/793437583.db2.gz PMVFWWWMFNMBBW-ROUUACIJSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496733 793437586 /nfs/dbraw/zinc/43/75/86/793437586.db2.gz PMVFWWWMFNMBBW-ROUUACIJSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496733 793437588 /nfs/dbraw/zinc/43/75/88/793437588.db2.gz PMVFWWWMFNMBBW-ROUUACIJSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496733 793437590 /nfs/dbraw/zinc/43/75/90/793437590.db2.gz PMVFWWWMFNMBBW-ROUUACIJSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496734 793437597 /nfs/dbraw/zinc/43/75/97/793437597.db2.gz PMVFWWWMFNMBBW-ZWKOTPCHSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496734 793437600 /nfs/dbraw/zinc/43/76/00/793437600.db2.gz PMVFWWWMFNMBBW-ZWKOTPCHSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496734 793437602 /nfs/dbraw/zinc/43/76/02/793437602.db2.gz PMVFWWWMFNMBBW-ZWKOTPCHSA-N 2 2 323.481 2.130 20 30 DEEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496734 793437604 /nfs/dbraw/zinc/43/76/04/793437604.db2.gz PMVFWWWMFNMBBW-ZWKOTPCHSA-N 2 2 323.481 2.130 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414544 793607796 /nfs/dbraw/zinc/60/77/96/793607796.db2.gz IIIBLLZKIBJZQF-OWCLPIDISA-N 2 2 304.438 2.094 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414544 793607800 /nfs/dbraw/zinc/60/78/00/793607800.db2.gz IIIBLLZKIBJZQF-OWCLPIDISA-N 2 2 304.438 2.094 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145900 793956013 /nfs/dbraw/zinc/95/60/13/793956013.db2.gz UKICXISWLFWHFX-HUUCEWRRSA-N 2 2 324.428 2.274 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145900 793956023 /nfs/dbraw/zinc/95/60/23/793956023.db2.gz UKICXISWLFWHFX-HUUCEWRRSA-N 2 2 324.428 2.274 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885515 794514590 /nfs/dbraw/zinc/51/45/90/794514590.db2.gz RIOJLDSQFDQADZ-RYRKJORJSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885515 794514596 /nfs/dbraw/zinc/51/45/96/794514596.db2.gz RIOJLDSQFDQADZ-RYRKJORJSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899889 794519415 /nfs/dbraw/zinc/51/94/15/794519415.db2.gz XFRINJJYGGFZEK-VKJFTORMSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899889 794519422 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QTKSUDICDOORQY-VKJFTORMSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899611 794519656 /nfs/dbraw/zinc/51/96/56/794519656.db2.gz QTKSUDICDOORQY-VKJFTORMSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112008054 794544038 /nfs/dbraw/zinc/54/40/38/794544038.db2.gz QMJGQXWBSISNFJ-HOCLYGCPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112008054 794544046 /nfs/dbraw/zinc/54/40/46/794544046.db2.gz QMJGQXWBSISNFJ-HOCLYGCPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112008054 794544050 /nfs/dbraw/zinc/54/40/50/794544050.db2.gz QMJGQXWBSISNFJ-HOCLYGCPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112008054 794544056 /nfs/dbraw/zinc/54/40/56/794544056.db2.gz QMJGQXWBSISNFJ-HOCLYGCPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177379242 794650085 /nfs/dbraw/zinc/65/00/85/794650085.db2.gz XPKYTNSROVCGNL-UHFFFAOYSA-N 2 2 318.465 2.458 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752460 794908370 /nfs/dbraw/zinc/90/83/70/794908370.db2.gz DJMJLNIBGDNYPA-HNNXBMFYSA-N 2 2 304.438 2.429 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115766094 794913578 /nfs/dbraw/zinc/91/35/78/794913578.db2.gz UZFDCRLIHGQVJJ-AWEZNQCLSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115766094 794913615 /nfs/dbraw/zinc/91/36/15/794913615.db2.gz UZFDCRLIHGQVJJ-AWEZNQCLSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178866495 795015953 /nfs/dbraw/zinc/01/59/53/795015953.db2.gz WSCVMIYGPACPRY-INIZCTEOSA-N 2 2 318.465 2.288 20 30 DEEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956968 795038760 /nfs/dbraw/zinc/03/87/60/795038760.db2.gz GJTRTKYNIHNMSP-YESZJQIVSA-N 2 2 316.449 2.073 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183497296 795881266 /nfs/dbraw/zinc/88/12/66/795881266.db2.gz VWRZUEKVYNPZRD-CABCVRRESA-N 2 2 324.856 2.413 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183584256 795897550 /nfs/dbraw/zinc/89/75/50/795897550.db2.gz LGMYCJSAXXRVKL-JFIYKMOQSA-N 2 2 318.465 2.312 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211511 796012848 /nfs/dbraw/zinc/01/28/48/796012848.db2.gz UBSDFRYFVODDBK-LSDHHAIUSA-N 2 2 312.417 2.493 20 30 DEEDLP C#CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC001138341485 796200680 /nfs/dbraw/zinc/20/06/80/796200680.db2.gz QMGSRSFUXGCGOX-UHFFFAOYSA-N 2 2 302.418 2.233 20 30 DEEDLP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC001138341485 796200684 /nfs/dbraw/zinc/20/06/84/796200684.db2.gz QMGSRSFUXGCGOX-UHFFFAOYSA-N 2 2 302.418 2.233 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185596251 796291619 /nfs/dbraw/zinc/29/16/19/796291619.db2.gz ZMSZKGQNJRJSHV-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578321 797413850 /nfs/dbraw/zinc/41/38/50/797413850.db2.gz PBRZLQZKRIRPOF-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578321 797413854 /nfs/dbraw/zinc/41/38/54/797413854.db2.gz PBRZLQZKRIRPOF-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083024 797458129 /nfs/dbraw/zinc/45/81/29/797458129.db2.gz CRWCMYZMAVLLSJ-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083024 797458133 /nfs/dbraw/zinc/45/81/33/797458133.db2.gz CRWCMYZMAVLLSJ-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083024 797458136 /nfs/dbraw/zinc/45/81/36/797458136.db2.gz CRWCMYZMAVLLSJ-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083024 797458137 /nfs/dbraw/zinc/45/81/37/797458137.db2.gz CRWCMYZMAVLLSJ-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462818 797568608 /nfs/dbraw/zinc/56/86/08/797568608.db2.gz QEZAYXOGVXZSGG-MRXNPFEDSA-N 2 2 320.481 2.466 20 30 DEEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462818 797568611 /nfs/dbraw/zinc/56/86/11/797568611.db2.gz QEZAYXOGVXZSGG-MRXNPFEDSA-N 2 2 320.481 2.466 20 30 DEEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242941 798031443 /nfs/dbraw/zinc/03/14/43/798031443.db2.gz QPNBKDLYENLAQY-MRXNPFEDSA-N 2 2 304.438 2.191 20 30 DEEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242941 798031451 /nfs/dbraw/zinc/03/14/51/798031451.db2.gz QPNBKDLYENLAQY-MRXNPFEDSA-N 2 2 304.438 2.191 20 30 DEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCCCS)cc1 ZINC001198037368 798275619 /nfs/dbraw/zinc/27/56/19/798275619.db2.gz XYECJUYBYDNFKJ-UHFFFAOYSA-N 2 2 323.506 2.120 20 30 DEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCCCS)cc1 ZINC001198037368 798275624 /nfs/dbraw/zinc/27/56/24/798275624.db2.gz XYECJUYBYDNFKJ-UHFFFAOYSA-N 2 2 323.506 2.120 20 30 DEEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128545 798348345 /nfs/dbraw/zinc/34/83/45/798348345.db2.gz BZDVEPVQKWSWDV-OAHLLOKOSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128545 798348349 /nfs/dbraw/zinc/34/83/49/798348349.db2.gz BZDVEPVQKWSWDV-OAHLLOKOSA-N 2 2 310.401 2.123 20 30 DEEDLP N#Cc1ccc(Br)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC001198943169 798414587 /nfs/dbraw/zinc/41/45/87/798414587.db2.gz SZLAZRAIRVTEMK-UHFFFAOYSA-N 2 2 305.179 2.307 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cc(C)cc1OC ZINC001159925694 798627261 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C=CCC[C@H](C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258728649 1144036320 /nfs/dbraw/zinc/03/63/20/1144036320.db2.gz PNOMXHDWAFPIEW-AWEZNQCLSA-N 2 2 300.410 2.083 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088999 1144640596 /nfs/dbraw/zinc/64/05/96/1144640596.db2.gz IMEBMHPPIIXQDX-ZBFHGGJFSA-N 2 2 304.438 2.278 20 30 DEEDLP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001265095542 1144642499 /nfs/dbraw/zinc/64/24/99/1144642499.db2.gz XYZPYYMSYRELHM-IAGOWNOFSA-N 2 2 316.449 2.046 20 30 DEEDLP C=C(C)C[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001265165987 1144659033 /nfs/dbraw/zinc/65/90/33/1144659033.db2.gz NUJNITWWJAJNAH-UHFFFAOYSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(C)C[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001265165987 1144659038 /nfs/dbraw/zinc/65/90/38/1144659038.db2.gz NUJNITWWJAJNAH-UHFFFAOYSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265397257 1144702010 /nfs/dbraw/zinc/70/20/10/1144702010.db2.gz VCLMPGHBSVJTOW-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265397257 1144702012 /nfs/dbraw/zinc/70/20/12/1144702012.db2.gz VCLMPGHBSVJTOW-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708778 1144732748 /nfs/dbraw/zinc/73/27/48/1144732748.db2.gz SZUPJCJMLUANIR-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265708778 1144732751 /nfs/dbraw/zinc/73/27/51/1144732751.db2.gz SZUPJCJMLUANIR-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP N#CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000702564584 1144800479 /nfs/dbraw/zinc/80/04/79/1144800479.db2.gz YLWBDOIUNFUBJP-IBGZPJMESA-N 2 2 313.445 2.297 20 30 DEEDLP N#CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000702564584 1144800481 /nfs/dbraw/zinc/80/04/81/1144800481.db2.gz YLWBDOIUNFUBJP-IBGZPJMESA-N 2 2 313.445 2.297 20 30 DEEDLP C#CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001281046242 1144870232 /nfs/dbraw/zinc/87/02/32/1144870232.db2.gz HCAXFQWUGFEOCF-UHFFFAOYSA-N 2 2 316.449 2.071 20 30 DEEDLP CC#CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(C)C ZINC001282569845 1145089144 /nfs/dbraw/zinc/08/91/44/1145089144.db2.gz WPZDNTLOKCRSRP-HNNXBMFYSA-N 2 2 318.465 2.173 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282667332 1145117418 /nfs/dbraw/zinc/11/74/18/1145117418.db2.gz PPUPPJGRGCZPGM-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282667332 1145117422 /nfs/dbraw/zinc/11/74/22/1145117422.db2.gz PPUPPJGRGCZPGM-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282667332 1145117423 /nfs/dbraw/zinc/11/74/23/1145117423.db2.gz PPUPPJGRGCZPGM-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282667332 1145117428 /nfs/dbraw/zinc/11/74/28/1145117428.db2.gz PPUPPJGRGCZPGM-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001316794007 1147601493 /nfs/dbraw/zinc/60/14/93/1147601493.db2.gz FHLITNOYRAKNRT-OAGGEKHMSA-N 2 2 304.438 2.379 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001316794007 1147601495 /nfs/dbraw/zinc/60/14/95/1147601495.db2.gz FHLITNOYRAKNRT-OAGGEKHMSA-N 2 2 304.438 2.379 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317000859 1147647123 /nfs/dbraw/zinc/64/71/23/1147647123.db2.gz IDAALSWZUNYQIF-JKSUJKDBSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317187791 1147673205 /nfs/dbraw/zinc/67/32/05/1147673205.db2.gz ASIXKKBZMLDDMW-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317187791 1147673206 /nfs/dbraw/zinc/67/32/06/1147673206.db2.gz ASIXKKBZMLDDMW-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324656252 1147826274 /nfs/dbraw/zinc/82/62/74/1147826274.db2.gz LXOIQEDGAJYOKJ-DOTOQJQBSA-N 2 2 304.438 2.381 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324656252 1147826276 /nfs/dbraw/zinc/82/62/76/1147826276.db2.gz LXOIQEDGAJYOKJ-DOTOQJQBSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325466007 1147918425 /nfs/dbraw/zinc/91/84/25/1147918425.db2.gz JXRHQEBHYLHVBO-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181864167 186212499 /nfs/dbraw/zinc/21/24/99/186212499.db2.gz HXTGXCDPWOPLHR-GOSISDBHSA-N 2 2 301.434 2.129 20 30 DEEDLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000579623901 357006805 /nfs/dbraw/zinc/00/68/05/357006805.db2.gz CMBVBWSZQLTUMX-MRXNPFEDSA-N 2 2 312.461 2.458 20 30 DEEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000579623901 357006807 /nfs/dbraw/zinc/00/68/07/357006807.db2.gz CMBVBWSZQLTUMX-MRXNPFEDSA-N 2 2 312.461 2.458 20 30 DEEDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180128275 199120499 /nfs/dbraw/zinc/12/04/99/199120499.db2.gz NWZYCBSFDJHHTG-QGZVFWFLSA-N 2 2 309.417 2.143 20 30 DEEDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180128275 199120500 /nfs/dbraw/zinc/12/05/00/199120500.db2.gz NWZYCBSFDJHHTG-QGZVFWFLSA-N 2 2 309.417 2.143 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597052778 358813034 /nfs/dbraw/zinc/81/30/34/358813034.db2.gz FPRSTWIEGKRWAN-UHFFFAOYSA-N 2 2 306.381 2.352 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@@H](O)C3)CC2)cc1 ZINC000189279749 200374939 /nfs/dbraw/zinc/37/49/39/200374939.db2.gz YNIFWDYBXAFFDI-PKOBYXMFSA-N 2 2 313.445 2.273 20 30 DEEDLP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000271923016 209326365 /nfs/dbraw/zinc/32/63/65/209326365.db2.gz FIJKPNOZBJPERP-ZIAGYGMSSA-N 2 2 305.397 2.316 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000610946936 361496007 /nfs/dbraw/zinc/49/60/07/361496007.db2.gz JXODIKAOONEYTD-KRWDZBQOSA-N 2 2 317.408 2.430 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028314 197156162 /nfs/dbraw/zinc/15/61/62/197156162.db2.gz BGENUAYWSMPZJQ-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028314 197156165 /nfs/dbraw/zinc/15/61/65/197156165.db2.gz BGENUAYWSMPZJQ-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028314 197156166 /nfs/dbraw/zinc/15/61/66/197156166.db2.gz BGENUAYWSMPZJQ-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028314 197156169 /nfs/dbraw/zinc/15/61/69/197156169.db2.gz BGENUAYWSMPZJQ-FUHWJXTLSA-N 2 2 315.461 2.274 20 30 DEEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838770 147393349 /nfs/dbraw/zinc/39/33/49/147393349.db2.gz DYJHSDIKHQOOSH-IEBWSBKVSA-N 2 2 312.461 2.161 20 30 DEEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838770 147393350 /nfs/dbraw/zinc/39/33/50/147393350.db2.gz DYJHSDIKHQOOSH-IEBWSBKVSA-N 2 2 312.461 2.161 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084905 401959969 /nfs/dbraw/zinc/95/99/69/401959969.db2.gz ISHVTHMPQVPYPD-HZPDHXFCSA-N 2 2 304.438 2.191 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084905 401959971 /nfs/dbraw/zinc/95/99/71/401959971.db2.gz ISHVTHMPQVPYPD-HZPDHXFCSA-N 2 2 304.438 2.191 20 30 DEEDLP C=CCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000090883738 401988723 /nfs/dbraw/zinc/98/87/23/401988723.db2.gz KOPNVCBQVDLMNZ-AEFFLSMTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000090883738 401988725 /nfs/dbraw/zinc/98/87/25/401988725.db2.gz KOPNVCBQVDLMNZ-AEFFLSMTSA-N 2 2 303.450 2.474 20 30 DEEDLP C[NH+]1CCN(c2ccc(NCc3cccc(C#N)c3)[nH+]c2)CC1 ZINC000123249430 402117984 /nfs/dbraw/zinc/11/79/84/402117984.db2.gz VLLFMRLFLFVCQJ-UHFFFAOYSA-N 2 2 307.401 2.317 20 30 DEEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccc1 ZINC000161482571 402389034 /nfs/dbraw/zinc/38/90/34/402389034.db2.gz KVYCHBXNZZZLEC-GOSISDBHSA-N 2 2 324.428 2.314 20 30 DEEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccc1 ZINC000161482571 402389036 /nfs/dbraw/zinc/38/90/36/402389036.db2.gz KVYCHBXNZZZLEC-GOSISDBHSA-N 2 2 324.428 2.314 20 30 DEEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537644 402677055 /nfs/dbraw/zinc/67/70/55/402677055.db2.gz OVHAVCGASPVEBJ-QGZVFWFLSA-N 2 2 323.444 2.246 20 30 DEEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537644 402677056 /nfs/dbraw/zinc/67/70/56/402677056.db2.gz OVHAVCGASPVEBJ-QGZVFWFLSA-N 2 2 323.444 2.246 20 30 DEEDLP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537644 402677059 /nfs/dbraw/zinc/67/70/59/402677059.db2.gz OVHAVCGASPVEBJ-QGZVFWFLSA-N 2 2 323.444 2.246 20 30 DEEDLP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537644 402677061 /nfs/dbraw/zinc/67/70/61/402677061.db2.gz OVHAVCGASPVEBJ-QGZVFWFLSA-N 2 2 323.444 2.246 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266941502 403001565 /nfs/dbraw/zinc/00/15/65/403001565.db2.gz RKYOPCNBAGXERL-ZFWWWQNUSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266941502 403001567 /nfs/dbraw/zinc/00/15/67/403001567.db2.gz RKYOPCNBAGXERL-ZFWWWQNUSA-N 2 2 323.400 2.488 20 30 DEEDLP Cc1nc(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc[nH+]1 ZINC000273575500 403016840 /nfs/dbraw/zinc/01/68/40/403016840.db2.gz GRQSRYCIGSWTRU-UHFFFAOYSA-N 2 2 323.400 2.010 20 30 DEEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285501236 403311792 /nfs/dbraw/zinc/31/17/92/403311792.db2.gz MSGGZABDYWGTFM-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285501236 403311795 /nfs/dbraw/zinc/31/17/95/403311795.db2.gz MSGGZABDYWGTFM-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285501236 403311798 /nfs/dbraw/zinc/31/17/98/403311798.db2.gz MSGGZABDYWGTFM-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285501236 403311801 /nfs/dbraw/zinc/31/18/01/403311801.db2.gz MSGGZABDYWGTFM-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000285541457 403322034 /nfs/dbraw/zinc/32/20/34/403322034.db2.gz FZRRBVAXIXVGKO-UHFFFAOYSA-N 2 2 309.417 2.403 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346899149 403606656 /nfs/dbraw/zinc/60/66/56/403606656.db2.gz UVDLMOAPXXTOJM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346899149 403606657 /nfs/dbraw/zinc/60/66/57/403606657.db2.gz UVDLMOAPXXTOJM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346899149 403606658 /nfs/dbraw/zinc/60/66/58/403606658.db2.gz UVDLMOAPXXTOJM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346899149 403606659 /nfs/dbraw/zinc/60/66/59/403606659.db2.gz UVDLMOAPXXTOJM-FUHWJXTLSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCN1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1=O ZINC000289394516 403942131 /nfs/dbraw/zinc/94/21/31/403942131.db2.gz MZMURDUNLOKLMD-MRXNPFEDSA-N 2 2 315.417 2.020 20 30 DEEDLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328933622 404177099 /nfs/dbraw/zinc/17/70/99/404177099.db2.gz PTGCRNWFNUHWFI-CQSZACIVSA-N 2 2 302.422 2.276 20 30 DEEDLP Cn1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000355069246 404195855 /nfs/dbraw/zinc/19/58/55/404195855.db2.gz WVEHEHMTJDYUTG-UHFFFAOYSA-N 2 2 323.444 2.088 20 30 DEEDLP C=CCOCCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026884 406022730 /nfs/dbraw/zinc/02/27/30/406022730.db2.gz URWUBJRBXMJOEE-OAHLLOKOSA-N 2 2 305.422 2.193 20 30 DEEDLP C=CCOCCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026884 406022734 /nfs/dbraw/zinc/02/27/34/406022734.db2.gz URWUBJRBXMJOEE-OAHLLOKOSA-N 2 2 305.422 2.193 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000491483577 406601692 /nfs/dbraw/zinc/60/16/92/406601692.db2.gz CJVXKUWMDPDENS-OAHLLOKOSA-N 2 2 311.433 2.181 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000491483577 406601694 /nfs/dbraw/zinc/60/16/94/406601694.db2.gz CJVXKUWMDPDENS-OAHLLOKOSA-N 2 2 311.433 2.181 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575878288 406827231 /nfs/dbraw/zinc/82/72/31/406827231.db2.gz DKLVQJNWZBRECM-GJZGRUSLSA-N 2 2 304.438 2.023 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575878288 406827233 /nfs/dbraw/zinc/82/72/33/406827233.db2.gz DKLVQJNWZBRECM-GJZGRUSLSA-N 2 2 304.438 2.023 20 30 DEEDLP C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398758 407273635 /nfs/dbraw/zinc/27/36/35/407273635.db2.gz LDOGTOFMAPXIMY-INIZCTEOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398758 407273637 /nfs/dbraw/zinc/27/36/37/407273637.db2.gz LDOGTOFMAPXIMY-INIZCTEOSA-N 2 2 307.482 2.216 20 30 DEEDLP C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378310744 227211849 /nfs/dbraw/zinc/21/18/49/227211849.db2.gz CXDNWILBERIMGZ-IAGOWNOFSA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378310744 227211853 /nfs/dbraw/zinc/21/18/53/227211853.db2.gz CXDNWILBERIMGZ-IAGOWNOFSA-N 2 2 306.498 2.274 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655425 425193840 /nfs/dbraw/zinc/19/38/40/425193840.db2.gz MIQMHQHJTCYEHZ-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655425 425193843 /nfs/dbraw/zinc/19/38/43/425193843.db2.gz MIQMHQHJTCYEHZ-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655425 425193850 /nfs/dbraw/zinc/19/38/50/425193850.db2.gz MIQMHQHJTCYEHZ-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655425 425193855 /nfs/dbraw/zinc/19/38/55/425193855.db2.gz MIQMHQHJTCYEHZ-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060490 425392541 /nfs/dbraw/zinc/39/25/41/425392541.db2.gz FTTHBRHNGBPMPX-GFCCVEGCSA-N 2 2 315.870 2.195 20 30 DEEDLP C=CC[C@@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[NH2+]1 ZINC000662788644 425735163 /nfs/dbraw/zinc/73/51/63/425735163.db2.gz PXCWFIYRAGZBMQ-SFHVURJKSA-N 2 2 310.401 2.187 20 30 DEEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000662665010 425706566 /nfs/dbraw/zinc/70/65/66/425706566.db2.gz GBFBTMAWQZNAOG-KRWDZBQOSA-N 2 2 319.474 2.091 20 30 DEEDLP C=CC[C@@]1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000662673304 425709549 /nfs/dbraw/zinc/70/95/49/425709549.db2.gz YIWMBELTUMCEAO-SFHVURJKSA-N 2 2 312.417 2.159 20 30 DEEDLP C=CC[C@@]1(C(=O)NCCCCNc2cccc[nH+]2)CCC[NH2+]1 ZINC000662711776 425718624 /nfs/dbraw/zinc/71/86/24/425718624.db2.gz ORMDCPXKXDLYFW-KRWDZBQOSA-N 2 2 302.422 2.088 20 30 DEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000562985802 333010965 /nfs/dbraw/zinc/01/09/65/333010965.db2.gz TTYAFMGZQFIHJN-NVXWUHKLSA-N 2 2 315.417 2.030 20 30 DEEDLP N#C[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000571671068 335118760 /nfs/dbraw/zinc/11/87/60/335118760.db2.gz QDDCKDUAJITLIL-NEPJUHHUSA-N 2 2 305.345 2.315 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178858008 340452371 /nfs/dbraw/zinc/45/23/71/340452371.db2.gz CDVSDEVOOUVWSE-HNNXBMFYSA-N 2 2 309.454 2.236 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089059526 782141510 /nfs/dbraw/zinc/14/15/10/782141510.db2.gz PNXISPOTMUKELM-ILXRZTDVSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089059526 782141516 /nfs/dbraw/zinc/14/15/16/782141516.db2.gz PNXISPOTMUKELM-ILXRZTDVSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089059526 782141518 /nfs/dbraw/zinc/14/15/18/782141518.db2.gz PNXISPOTMUKELM-ILXRZTDVSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089059526 782141522 /nfs/dbraw/zinc/14/15/22/782141522.db2.gz PNXISPOTMUKELM-ILXRZTDVSA-N 2 2 313.873 2.192 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245625 1149079118 /nfs/dbraw/zinc/07/91/18/1149079118.db2.gz VRJKVQONZCRPDM-XJKSGUPXSA-N 2 2 318.465 2.442 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245625 1149079127 /nfs/dbraw/zinc/07/91/27/1149079127.db2.gz VRJKVQONZCRPDM-XJKSGUPXSA-N 2 2 318.465 2.442 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001401085371 1161869576 /nfs/dbraw/zinc/86/95/76/1161869576.db2.gz AOIIVIMWOMOTKH-ZIAGYGMSSA-N 2 2 310.829 2.167 20 30 DEEDLP C=CCN1CC[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000337186211 526476510 /nfs/dbraw/zinc/47/65/10/526476510.db2.gz DBVTWKDUHVHLQT-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC(C)(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000339546291 526991295 /nfs/dbraw/zinc/99/12/95/526991295.db2.gz OJXKQKPNFIORRZ-UHFFFAOYSA-N 2 2 307.482 2.264 20 30 DEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869232 527753186 /nfs/dbraw/zinc/75/31/86/527753186.db2.gz PRBPCWQGVXESRS-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869232 527753191 /nfs/dbraw/zinc/75/31/91/527753191.db2.gz PRBPCWQGVXESRS-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869232 527753195 /nfs/dbraw/zinc/75/31/95/527753195.db2.gz PRBPCWQGVXESRS-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330869232 527753200 /nfs/dbraw/zinc/75/32/00/527753200.db2.gz PRBPCWQGVXESRS-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225220 625283157 /nfs/dbraw/zinc/28/31/57/625283157.db2.gz CDYZICPLGNGSII-CVEARBPZSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225220 625283159 /nfs/dbraw/zinc/28/31/59/625283159.db2.gz CDYZICPLGNGSII-CVEARBPZSA-N 2 2 316.449 2.374 20 30 DEEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]12 ZINC001026318133 625294237 /nfs/dbraw/zinc/29/42/37/625294237.db2.gz UBDBEWNCYSRJDU-IXDOHACOSA-N 2 2 311.429 2.080 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293816 625327851 /nfs/dbraw/zinc/32/78/51/625327851.db2.gz UTDYMGSKQMABPW-IRXDYDNUSA-N 2 2 316.449 2.292 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293816 625327853 /nfs/dbraw/zinc/32/78/53/625327853.db2.gz UTDYMGSKQMABPW-IRXDYDNUSA-N 2 2 316.449 2.292 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459765 625453109 /nfs/dbraw/zinc/45/31/09/625453109.db2.gz SCSTWWXELZIKQJ-UONOGXRCSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459765 625453111 /nfs/dbraw/zinc/45/31/11/625453111.db2.gz SCSTWWXELZIKQJ-UONOGXRCSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001026518033 625494544 /nfs/dbraw/zinc/49/45/44/625494544.db2.gz 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C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996515883 633276141 /nfs/dbraw/zinc/27/61/41/633276141.db2.gz VMWRQFQTTUXIKR-AWEZNQCLSA-N 2 2 304.438 2.090 20 30 DEEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001027460428 633828109 /nfs/dbraw/zinc/82/81/09/633828109.db2.gz JUIZBHQVDGLZKL-OAHLLOKOSA-N 2 2 304.438 2.035 20 30 DEEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001027460428 633828115 /nfs/dbraw/zinc/82/81/15/633828115.db2.gz JUIZBHQVDGLZKL-OAHLLOKOSA-N 2 2 304.438 2.035 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980228552 634906375 /nfs/dbraw/zinc/90/63/75/634906375.db2.gz GPFQZVOCFNUZJJ-JYJNAYRXSA-N 2 2 316.449 2.053 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980228552 634906379 /nfs/dbraw/zinc/90/63/79/634906379.db2.gz GPFQZVOCFNUZJJ-JYJNAYRXSA-N 2 2 316.449 2.053 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 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DHCPUULPNDBJND-OAHLLOKOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292585 635950710 /nfs/dbraw/zinc/95/07/10/635950710.db2.gz PKHHBQXYCBASNA-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292585 635950712 /nfs/dbraw/zinc/95/07/12/635950712.db2.gz PKHHBQXYCBASNA-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292585 635950715 /nfs/dbraw/zinc/95/07/15/635950715.db2.gz PKHHBQXYCBASNA-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292585 635950718 /nfs/dbraw/zinc/95/07/18/635950718.db2.gz PKHHBQXYCBASNA-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000922659671 636304760 /nfs/dbraw/zinc/30/47/60/636304760.db2.gz HYVRMQGXSBTZKZ-QGZVFWFLSA-N 2 2 312.417 2.249 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982762284 636387036 /nfs/dbraw/zinc/38/70/36/636387036.db2.gz CDBQKACZAWQUSQ-HDICACEKSA-N 2 2 316.449 2.007 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982762284 636387038 /nfs/dbraw/zinc/38/70/38/636387038.db2.gz CDBQKACZAWQUSQ-HDICACEKSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005578782 636787781 /nfs/dbraw/zinc/78/77/81/636787781.db2.gz GFERHECTHUZLKD-UHFFFAOYSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000985772473 639626225 /nfs/dbraw/zinc/62/62/25/639626225.db2.gz FLRDEYIYNZMASO-UHFFFAOYSA-N 2 2 324.856 2.028 20 30 DEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000985772473 639626227 /nfs/dbraw/zinc/62/62/27/639626227.db2.gz FLRDEYIYNZMASO-UHFFFAOYSA-N 2 2 324.856 2.028 20 30 DEEDLP Cc1ccn(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(=O)c1C#N ZINC000758250340 639937004 /nfs/dbraw/zinc/93/70/04/639937004.db2.gz YEMHSDSGELLUPS-UHFFFAOYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000900245457 642297403 /nfs/dbraw/zinc/29/74/03/642297403.db2.gz CBVGSIQAKVEYQA-UHFFFAOYSA-N 2 2 316.449 2.196 20 30 DEEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000780353755 642615376 /nfs/dbraw/zinc/61/53/76/642615376.db2.gz GZJMWTPNTOIMHJ-QZTJIDSGSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000780353755 642615378 /nfs/dbraw/zinc/61/53/78/642615378.db2.gz GZJMWTPNTOIMHJ-QZTJIDSGSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000780353755 642615381 /nfs/dbraw/zinc/61/53/81/642615381.db2.gz GZJMWTPNTOIMHJ-QZTJIDSGSA-N 2 2 314.429 2.320 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000780353755 642615382 /nfs/dbraw/zinc/61/53/82/642615382.db2.gz GZJMWTPNTOIMHJ-QZTJIDSGSA-N 2 2 314.429 2.320 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000907740466 644622365 /nfs/dbraw/zinc/62/23/65/644622365.db2.gz LCZQBCUNWYQSNS-UHFFFAOYSA-N 2 2 306.454 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991863602 646673548 /nfs/dbraw/zinc/67/35/48/646673548.db2.gz RWBIWSBIFUEEED-GOEBONIOSA-N 2 2 322.840 2.057 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991863602 646673551 /nfs/dbraw/zinc/67/35/51/646673551.db2.gz RWBIWSBIFUEEED-GOEBONIOSA-N 2 2 322.840 2.057 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000992875886 647311649 /nfs/dbraw/zinc/31/16/49/647311649.db2.gz UEYNQVKTVKNZJI-ARFHVFGLSA-N 2 2 316.449 2.053 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993479661 647676853 /nfs/dbraw/zinc/67/68/53/647676853.db2.gz AXUUWKGEWMAORT-ZFWWWQNUSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993479661 647676857 /nfs/dbraw/zinc/67/68/57/647676857.db2.gz AXUUWKGEWMAORT-ZFWWWQNUSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993699825 647734077 /nfs/dbraw/zinc/73/40/77/647734077.db2.gz ATBCNWSBDSPXNP-DZGCQCFKSA-N 2 2 305.422 2.110 20 30 DEEDLP C#C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000827566253 649052062 /nfs/dbraw/zinc/05/20/62/649052062.db2.gz UKKHAMCSNJSNSF-MRXNPFEDSA-N 2 2 301.415 2.452 20 30 DEEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735860 652221472 /nfs/dbraw/zinc/22/14/72/652221472.db2.gz JFRVTZIEPCAOES-HKUYNNGSSA-N 2 2 300.446 2.310 20 30 DEEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735860 652221476 /nfs/dbraw/zinc/22/14/76/652221476.db2.gz JFRVTZIEPCAOES-HKUYNNGSSA-N 2 2 300.446 2.310 20 30 DEEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735860 652221482 /nfs/dbraw/zinc/22/14/82/652221482.db2.gz JFRVTZIEPCAOES-HKUYNNGSSA-N 2 2 300.446 2.310 20 30 DEEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735860 652221485 /nfs/dbraw/zinc/22/14/85/652221485.db2.gz JFRVTZIEPCAOES-HKUYNNGSSA-N 2 2 300.446 2.310 20 30 DEEDLP CCC(CC)[C@@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCOCC1 ZINC000305072085 685270346 /nfs/dbraw/zinc/27/03/46/685270346.db2.gz PDGUEVBVMGQPKN-QGZVFWFLSA-N 2 2 324.513 2.314 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001054942665 694077942 /nfs/dbraw/zinc/07/79/42/694077942.db2.gz ZLAKRTVSGHDZDC-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280166 687519789 /nfs/dbraw/zinc/51/97/89/687519789.db2.gz OOPBOPHHPRTHDN-UKRRQHHQSA-N 2 2 305.422 2.271 20 30 DEEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001018006905 688025753 /nfs/dbraw/zinc/02/57/53/688025753.db2.gz GNSLXPHBOYJRKM-OAGGEKHMSA-N 2 2 302.422 2.086 20 30 DEEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001018006905 688025759 /nfs/dbraw/zinc/02/57/59/688025759.db2.gz GNSLXPHBOYJRKM-OAGGEKHMSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)C[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001031881519 689013605 /nfs/dbraw/zinc/01/36/05/689013605.db2.gz MFTNMWBFZUKOLE-UHFFFAOYSA-N 2 2 310.401 2.110 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320818 689461382 /nfs/dbraw/zinc/46/13/82/689461382.db2.gz XLFKCCVJZBVDSN-AWEZNQCLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320818 689461386 /nfs/dbraw/zinc/46/13/86/689461386.db2.gz XLFKCCVJZBVDSN-AWEZNQCLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532349 689534091 /nfs/dbraw/zinc/53/40/91/689534091.db2.gz CKXHCAKGZBQCFF-HNNXBMFYSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532349 689534095 /nfs/dbraw/zinc/53/40/95/689534095.db2.gz CKXHCAKGZBQCFF-HNNXBMFYSA-N 2 2 313.873 2.004 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)C)C1 ZINC001034249730 689780560 /nfs/dbraw/zinc/78/05/60/689780560.db2.gz NHBINDIIHZTWIN-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)C)C1 ZINC001034249730 689780563 /nfs/dbraw/zinc/78/05/63/689780563.db2.gz NHBINDIIHZTWIN-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)C)C1 ZINC001034249730 689780567 /nfs/dbraw/zinc/78/05/67/689780567.db2.gz NHBINDIIHZTWIN-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)C)C1 ZINC001034249730 689780569 /nfs/dbraw/zinc/78/05/69/689780569.db2.gz NHBINDIIHZTWIN-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](C[C@H](O)CC#N)C2 ZINC000931223615 694343471 /nfs/dbraw/zinc/34/34/71/694343471.db2.gz DRHQXEYANHJHQS-QYZOEREBSA-N 2 2 313.445 2.105 20 30 DEEDLP 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319.493 2.217 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957557777 1088407949 /nfs/dbraw/zinc/40/79/49/1088407949.db2.gz GMNUQIFADNAHEF-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957557777 1088407958 /nfs/dbraw/zinc/40/79/58/1088407958.db2.gz GMNUQIFADNAHEF-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626574 1088471166 /nfs/dbraw/zinc/47/11/66/1088471166.db2.gz WSLRDZDECGCGLV-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP CCCCCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001274296710 1091174276 /nfs/dbraw/zinc/17/42/76/1091174276.db2.gz FTEZCHLJPJERQO-CVEARBPZSA-N 2 2 306.454 2.290 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001274964620 1091490685 /nfs/dbraw/zinc/49/06/85/1091490685.db2.gz QXNDPYHYPRIHHI-SFHVURJKSA-N 2 2 318.465 2.016 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001274964620 1091490693 /nfs/dbraw/zinc/49/06/93/1091490693.db2.gz QXNDPYHYPRIHHI-SFHVURJKSA-N 2 2 318.465 2.016 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494911079 1092298228 /nfs/dbraw/zinc/29/82/28/1092298228.db2.gz RUEQIRMTUVDWMD-UKRRQHHQSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494911079 1092298245 /nfs/dbraw/zinc/29/82/45/1092298245.db2.gz RUEQIRMTUVDWMD-UKRRQHHQSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494911079 1092298253 /nfs/dbraw/zinc/29/82/53/1092298253.db2.gz RUEQIRMTUVDWMD-UKRRQHHQSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494911079 1092298266 /nfs/dbraw/zinc/29/82/66/1092298266.db2.gz RUEQIRMTUVDWMD-UKRRQHHQSA-N 2 2 313.873 2.004 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001489003026 1092850552 /nfs/dbraw/zinc/85/05/52/1092850552.db2.gz QCYPLXYCIVTOLE-NVXWUHKLSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001488998876 1092876369 /nfs/dbraw/zinc/87/63/69/1092876369.db2.gz QTFFOIMGHPHCBI-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001318756088 1140401106 /nfs/dbraw/zinc/40/11/06/1140401106.db2.gz AXZVKOCYAKZQJD-YJBOKZPZSA-N 2 2 318.465 2.193 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001245973320 1140839940 /nfs/dbraw/zinc/83/99/40/1140839940.db2.gz JXCJJIKSQHVNQQ-IAGOWNOFSA-N 2 2 300.487 2.456 20 30 DEEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245977581 1140840427 /nfs/dbraw/zinc/84/04/27/1140840427.db2.gz GWZXLEXEMRCEFY-CVEARBPZSA-N 2 2 314.470 2.134 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001322343815 1141534431 /nfs/dbraw/zinc/53/44/31/1141534431.db2.gz ANOPRMCRFGZRAJ-JKSUJKDBSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001247967624 1141655031 /nfs/dbraw/zinc/65/50/31/1141655031.db2.gz OWWVAXWIGNVZNH-HNNXBMFYSA-N 2 2 314.389 2.145 20 30 DEEDLP N#CC1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC[NH2+]CC1 ZINC001249269524 1141867181 /nfs/dbraw/zinc/86/71/81/1141867181.db2.gz MGMFUFOLJUVGBD-UHFFFAOYSA-N 2 2 320.356 2.067 20 30 DEEDLP C=CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001323721376 1141880155 /nfs/dbraw/zinc/88/01/55/1141880155.db2.gz FSMDTDVIMPHORV-UHFFFAOYSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001323721376 1141880157 /nfs/dbraw/zinc/88/01/57/1141880157.db2.gz FSMDTDVIMPHORV-UHFFFAOYSA-N 2 2 318.465 2.290 20 30 DEEDLP C=C[C@](C)(O)C[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001252579593 1142770550 /nfs/dbraw/zinc/77/05/50/1142770550.db2.gz MVWNFKHZXAQHLD-SFHVURJKSA-N 2 2 304.434 2.186 20 30 DEEDLP C#CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001253392058 1142868244 /nfs/dbraw/zinc/86/82/44/1142868244.db2.gz FOLYWWHFUINLMB-SJLPKXTDSA-N 2 2 300.446 2.358 20 30 DEEDLP C#CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001253392058 1142868245 /nfs/dbraw/zinc/86/82/45/1142868245.db2.gz FOLYWWHFUINLMB-SJLPKXTDSA-N 2 2 300.446 2.358 20 30 DEEDLP COc1cc(N([C@H]2CC[C@@H](C#N)C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001254676937 1143310141 /nfs/dbraw/zinc/31/01/41/1143310141.db2.gz OXWILGZMGYBHFZ-HIFRSBDPSA-N 2 2 300.406 2.341 20 30 DEEDLP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001278912179 1143830334 /nfs/dbraw/zinc/83/03/34/1143830334.db2.gz LCSWKLHSXMXANJ-INIZCTEOSA-N 2 2 318.465 2.190 20 30 DEEDLP C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001278912179 1143830336 /nfs/dbraw/zinc/83/03/36/1143830336.db2.gz LCSWKLHSXMXANJ-INIZCTEOSA-N 2 2 318.465 2.190 20 30 DEEDLP C#CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256556240 1143853549 /nfs/dbraw/zinc/85/35/49/1143853549.db2.gz XREDTVNVOKZOJE-AZUAARDMSA-N 2 2 311.473 2.290 20 30 DEEDLP C#CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256556240 1143853552 /nfs/dbraw/zinc/85/35/52/1143853552.db2.gz XREDTVNVOKZOJE-AZUAARDMSA-N 2 2 311.473 2.290 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001263812350 1144397724 /nfs/dbraw/zinc/39/77/24/1144397724.db2.gz LRVCXVBJCRJKDV-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001263812350 1144397726 /nfs/dbraw/zinc/39/77/26/1144397726.db2.gz LRVCXVBJCRJKDV-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001263958007 1144432572 /nfs/dbraw/zinc/43/25/72/1144432572.db2.gz KHNKKFISYSIOAE-CJNGLKHVSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001265364287 1144698710 /nfs/dbraw/zinc/69/87/10/1144698710.db2.gz MECJCPWAFSKXAM-KRWDZBQOSA-N 2 2 310.401 2.156 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265706618 1144732437 /nfs/dbraw/zinc/73/24/37/1144732437.db2.gz XTJTWBIJBZLSBK-SJORKVTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265706618 1144732438 /nfs/dbraw/zinc/73/24/38/1144732438.db2.gz XTJTWBIJBZLSBK-SJORKVTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265708598 1144732724 /nfs/dbraw/zinc/73/27/24/1144732724.db2.gz QLYQTPBABWQTRQ-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265708598 1144732727 /nfs/dbraw/zinc/73/27/27/1144732727.db2.gz QLYQTPBABWQTRQ-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001265775461 1144739978 /nfs/dbraw/zinc/73/99/78/1144739978.db2.gz QYCOOWPKWHSMBL-ZDUSSCGKSA-N 2 2 300.406 2.317 20 30 DEEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102299 1144805826 /nfs/dbraw/zinc/80/58/26/1144805826.db2.gz HKMJUBBUTWORFD-IRXDYDNUSA-N 2 2 316.449 2.026 20 30 DEEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102299 1144805827 /nfs/dbraw/zinc/80/58/27/1144805827.db2.gz HKMJUBBUTWORFD-IRXDYDNUSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001284639922 1145882639 /nfs/dbraw/zinc/88/26/39/1145882639.db2.gz CVJFEMJNZQETHM-GOEBONIOSA-N 2 2 320.481 2.438 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317000858 1147647051 /nfs/dbraw/zinc/64/70/51/1147647051.db2.gz IDAALSWZUNYQIF-HZPDHXFCSA-N 2 2 316.449 2.381 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317155427 1147667584 /nfs/dbraw/zinc/66/75/84/1147667584.db2.gz SVCIDLHIBDUFJK-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001317173802 1147670681 /nfs/dbraw/zinc/67/06/81/1147670681.db2.gz OKLAVXMZOMMXQY-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001317173802 1147670682 /nfs/dbraw/zinc/67/06/82/1147670682.db2.gz OKLAVXMZOMMXQY-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317504059 1147717062 /nfs/dbraw/zinc/71/70/62/1147717062.db2.gz UJGJYMACTPESFZ-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317504059 1147717064 /nfs/dbraw/zinc/71/70/64/1147717064.db2.gz UJGJYMACTPESFZ-INIZCTEOSA-N 2 2 318.465 2.473 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001367862147 1147763022 /nfs/dbraw/zinc/76/30/22/1147763022.db2.gz NJDUXAMOPJWFFN-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367862147 1147763023 /nfs/dbraw/zinc/76/30/23/1147763023.db2.gz NJDUXAMOPJWFFN-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001367862147 1147763025 /nfs/dbraw/zinc/76/30/25/1147763025.db2.gz NJDUXAMOPJWFFN-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001367862147 1147763027 /nfs/dbraw/zinc/76/30/27/1147763027.db2.gz NJDUXAMOPJWFFN-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001367862144 1147763102 /nfs/dbraw/zinc/76/31/02/1147763102.db2.gz NJDUXAMOPJWFFN-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367862144 1147763104 /nfs/dbraw/zinc/76/31/04/1147763104.db2.gz NJDUXAMOPJWFFN-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001367862144 1147763106 /nfs/dbraw/zinc/76/31/06/1147763106.db2.gz NJDUXAMOPJWFFN-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001367862144 1147763108 /nfs/dbraw/zinc/76/31/08/1147763108.db2.gz NJDUXAMOPJWFFN-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001367862143 1147763127 /nfs/dbraw/zinc/76/31/27/1147763127.db2.gz NJDUXAMOPJWFFN-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367862143 1147763129 /nfs/dbraw/zinc/76/31/29/1147763129.db2.gz NJDUXAMOPJWFFN-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001367862143 1147763130 /nfs/dbraw/zinc/76/31/30/1147763130.db2.gz NJDUXAMOPJWFFN-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001367862143 1147763132 /nfs/dbraw/zinc/76/31/32/1147763132.db2.gz NJDUXAMOPJWFFN-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC3CCCC3)cc2F)CC1 ZINC001318208431 1147797354 /nfs/dbraw/zinc/79/73/54/1147797354.db2.gz LGCCOTCUYDSECH-UHFFFAOYSA-N 2 2 304.413 2.444 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327162542 1148340483 /nfs/dbraw/zinc/34/04/83/1148340483.db2.gz JOUSXLOAXGWGNA-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327162542 1148340490 /nfs/dbraw/zinc/34/04/90/1148340490.db2.gz JOUSXLOAXGWGNA-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)n2c1 ZINC000093865894 355688744 /nfs/dbraw/zinc/68/87/44/355688744.db2.gz LAEHFPLWUAQZBV-KRWDZBQOSA-N 2 2 319.368 2.254 20 30 DEEDLP N#Cc1ccc2ncc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)n2c1 ZINC000093865894 355688745 /nfs/dbraw/zinc/68/87/45/355688745.db2.gz LAEHFPLWUAQZBV-KRWDZBQOSA-N 2 2 319.368 2.254 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867723 357772976 /nfs/dbraw/zinc/77/29/76/357772976.db2.gz RWPJDGGGALJRIF-HOTGVXAUSA-N 2 2 302.422 2.109 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867723 357772977 /nfs/dbraw/zinc/77/29/77/357772977.db2.gz RWPJDGGGALJRIF-HOTGVXAUSA-N 2 2 302.422 2.109 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000594581095 358296963 /nfs/dbraw/zinc/29/69/63/358296963.db2.gz NMHSWKPVCSIZEF-PKOBYXMFSA-N 3 2 312.461 2.382 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCC(F)F)CC2)cc1 ZINC000188741186 200298570 /nfs/dbraw/zinc/29/85/70/200298570.db2.gz KQQBONRVRJCACB-UHFFFAOYSA-N 2 2 323.387 2.394 20 30 DEEDLP Cn1cc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271898647 209306117 /nfs/dbraw/zinc/30/61/17/209306117.db2.gz UZEASBCCAWKUPE-UHFFFAOYSA-N 2 2 323.444 2.088 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362867463 133256047 /nfs/dbraw/zinc/25/60/47/133256047.db2.gz YGRNEHFKCKVFLS-AWEZNQCLSA-N 2 2 309.373 2.099 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362867463 133256048 /nfs/dbraw/zinc/25/60/48/133256048.db2.gz YGRNEHFKCKVFLS-AWEZNQCLSA-N 2 2 309.373 2.099 20 30 DEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563220646 292040606 /nfs/dbraw/zinc/04/06/06/292040606.db2.gz UDCSOCTYCRDUSC-HNNXBMFYSA-N 2 2 313.445 2.446 20 30 DEEDLP Cn1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC000190749769 145047635 /nfs/dbraw/zinc/04/76/35/145047635.db2.gz CWSFFWNRRXDXTJ-UHFFFAOYSA-N 2 2 305.385 2.431 20 30 DEEDLP CC[NH+](CC)CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000191469795 145058811 /nfs/dbraw/zinc/05/88/11/145058811.db2.gz XRPNIQFLTMZPML-UHFFFAOYSA-N 2 2 300.450 2.412 20 30 DEEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000111240664 401702763 /nfs/dbraw/zinc/70/27/63/401702763.db2.gz UWLNWRWXOSLSBN-UHFFFAOYSA-N 2 2 314.433 2.303 20 30 DEEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000111240664 401702767 /nfs/dbraw/zinc/70/27/67/401702767.db2.gz UWLNWRWXOSLSBN-UHFFFAOYSA-N 2 2 314.433 2.303 20 30 DEEDLP Cc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000291715173 404490148 /nfs/dbraw/zinc/49/01/48/404490148.db2.gz VZOWNTLAXSZMEY-UHFFFAOYSA-N 2 2 313.449 2.232 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CO)CCC3)CC2)cc1 ZINC000183232829 402749162 /nfs/dbraw/zinc/74/91/62/402749162.db2.gz QSWHXBMOAHEUDO-UHFFFAOYSA-N 2 2 313.445 2.275 20 30 DEEDLP C=CC[NH+](CC=C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175717905 402826292 /nfs/dbraw/zinc/82/62/92/402826292.db2.gz CAQZJHAKTVVTOA-QGZVFWFLSA-N 2 2 301.434 2.080 20 30 DEEDLP C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000281199364 403060558 /nfs/dbraw/zinc/06/05/58/403060558.db2.gz IYGWQNDDLSQNGB-QGZVFWFLSA-N 2 2 310.401 2.091 20 30 DEEDLP C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000281199364 403060560 /nfs/dbraw/zinc/06/05/60/403060560.db2.gz IYGWQNDDLSQNGB-QGZVFWFLSA-N 2 2 310.401 2.091 20 30 DEEDLP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269414231 403137617 /nfs/dbraw/zinc/13/76/17/403137617.db2.gz JZJTXHKEKOWDPU-UHFFFAOYSA-N 2 2 305.397 2.288 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347128171 403616888 /nfs/dbraw/zinc/61/68/88/403616888.db2.gz WNAMVBLEIHLOSW-NVXWUHKLSA-N 2 2 315.417 2.124 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347128171 403616892 /nfs/dbraw/zinc/61/68/92/403616892.db2.gz WNAMVBLEIHLOSW-NVXWUHKLSA-N 2 2 315.417 2.124 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362389630 403952457 /nfs/dbraw/zinc/95/24/57/403952457.db2.gz BWIKKODNEUGRCF-RYRKJORJSA-N 2 2 322.497 2.093 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362389630 403952460 /nfs/dbraw/zinc/95/24/60/403952460.db2.gz BWIKKODNEUGRCF-RYRKJORJSA-N 2 2 322.497 2.093 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000362720146 403982634 /nfs/dbraw/zinc/98/26/34/403982634.db2.gz SNASUQBKGWQDQB-IEBWSBKVSA-N 2 2 314.429 2.042 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000362720146 403982641 /nfs/dbraw/zinc/98/26/41/403982641.db2.gz SNASUQBKGWQDQB-IEBWSBKVSA-N 2 2 314.429 2.042 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000362720147 403982774 /nfs/dbraw/zinc/98/27/74/403982774.db2.gz SNASUQBKGWQDQB-MJGOQNOKSA-N 2 2 314.429 2.042 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000362720147 403982779 /nfs/dbraw/zinc/98/27/79/403982779.db2.gz SNASUQBKGWQDQB-MJGOQNOKSA-N 2 2 314.429 2.042 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000295690849 404005833 /nfs/dbraw/zinc/00/58/33/404005833.db2.gz DJTDJHLMKMKRHT-RBSFLKMASA-N 2 2 300.406 2.293 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000295690849 404005838 /nfs/dbraw/zinc/00/58/38/404005838.db2.gz DJTDJHLMKMKRHT-RBSFLKMASA-N 2 2 300.406 2.293 20 30 DEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327645 404060596 /nfs/dbraw/zinc/06/05/96/404060596.db2.gz RKBIWPWLDHHUTG-XYJFISCASA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327645 404060603 /nfs/dbraw/zinc/06/06/03/404060603.db2.gz RKBIWPWLDHHUTG-XYJFISCASA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327645 404060608 /nfs/dbraw/zinc/06/06/08/404060608.db2.gz RKBIWPWLDHHUTG-XYJFISCASA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000348327645 404060612 /nfs/dbraw/zinc/06/06/12/404060612.db2.gz RKBIWPWLDHHUTG-XYJFISCASA-N 2 2 322.497 2.093 20 30 DEEDLP CC[N@H+](CCNc1cc(C)[nH+]cc1C#N)CCC(F)(F)F ZINC000425253617 405264375 /nfs/dbraw/zinc/26/43/75/405264375.db2.gz CUOKAWVYWHBSPP-UHFFFAOYSA-N 2 2 300.328 2.370 20 30 DEEDLP CC[N@@H+](CCNc1cc(C)[nH+]cc1C#N)CCC(F)(F)F ZINC000425253617 405264377 /nfs/dbraw/zinc/26/43/77/405264377.db2.gz CUOKAWVYWHBSPP-UHFFFAOYSA-N 2 2 300.328 2.370 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3(CO)CC3)CC2)cc1 ZINC000449581382 405626354 /nfs/dbraw/zinc/62/63/54/405626354.db2.gz ZPNNYSPITZBAGU-UHFFFAOYSA-N 2 2 313.445 2.275 20 30 DEEDLP C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000563352838 406059411 /nfs/dbraw/zinc/05/94/11/406059411.db2.gz PNASSUFUNIVUSI-CABCVRRESA-N 2 2 322.372 2.356 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001422921606 1172938128 /nfs/dbraw/zinc/93/81/28/1172938128.db2.gz WZUOUPWRBPXJSA-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001422921606 1172938141 /nfs/dbraw/zinc/93/81/41/1172938141.db2.gz WZUOUPWRBPXJSA-CQSZACIVSA-N 2 2 301.862 2.051 20 30 DEEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574098629 406779503 /nfs/dbraw/zinc/77/95/03/406779503.db2.gz ROSJAWOGRYCBGQ-LSDHHAIUSA-N 2 2 300.406 2.296 20 30 DEEDLP C=CCCOCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000644609169 407152024 /nfs/dbraw/zinc/15/20/24/407152024.db2.gz VLFDGHROYSCAOF-MRXNPFEDSA-N 2 2 317.433 2.196 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000663668360 425210645 /nfs/dbraw/zinc/21/06/45/425210645.db2.gz NUXULOMOOKTVFB-MRXNPFEDSA-N 2 2 319.453 2.250 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000663668360 425210649 /nfs/dbraw/zinc/21/06/49/425210649.db2.gz NUXULOMOOKTVFB-MRXNPFEDSA-N 2 2 319.453 2.250 20 30 DEEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)(C)C ZINC000661759883 425496222 /nfs/dbraw/zinc/49/62/22/425496222.db2.gz KZIGESCJBXKVQD-UHFFFAOYSA-N 2 2 319.449 2.210 20 30 DEEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)(C)C ZINC000661759883 425496224 /nfs/dbraw/zinc/49/62/24/425496224.db2.gz KZIGESCJBXKVQD-UHFFFAOYSA-N 2 2 319.449 2.210 20 30 DEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCc2ccccc2C1 ZINC000263270561 273482211 /nfs/dbraw/zinc/48/22/11/273482211.db2.gz WRHOAXCAQYSPAB-UHFFFAOYSA-N 2 2 323.444 2.353 20 30 DEEDLP C[NH+]=C(NCc1ccco1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262009096 526384572 /nfs/dbraw/zinc/38/45/72/526384572.db2.gz WEQOWDJWISFNTE-UKRRQHHQSA-N 2 2 301.394 2.135 20 30 DEEDLP CC1CCN(C(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000264107229 528211099 /nfs/dbraw/zinc/21/10/99/528211099.db2.gz NZLFPWXJKGTEEJ-UHFFFAOYSA-N 2 2 311.433 2.478 20 30 DEEDLP CC[NH+]=C(NCC(C)(C)OC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261954666 528802691 /nfs/dbraw/zinc/80/26/91/528802691.db2.gz IMDXAXVWKBWXCE-GJZGRUSLSA-N 2 2 321.469 2.157 20 30 DEEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(C#N)cc1 ZINC000453273336 535913092 /nfs/dbraw/zinc/91/30/92/535913092.db2.gz VSEGDEDWZDOPDB-MSOLQXFVSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(C#N)cc1 ZINC000453273336 535913097 /nfs/dbraw/zinc/91/30/97/535913097.db2.gz VSEGDEDWZDOPDB-MSOLQXFVSA-N 2 2 301.434 2.446 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369741996 1149129111 /nfs/dbraw/zinc/12/91/11/1149129111.db2.gz DHBAUSNCUBEBPH-OLZOCXBDSA-N 2 2 310.829 2.064 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001379135704 1152579080 /nfs/dbraw/zinc/57/90/80/1152579080.db2.gz BNVTVVAZBUBOHS-OKILXGFUSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001379135704 1152579083 /nfs/dbraw/zinc/57/90/83/1152579083.db2.gz BNVTVVAZBUBOHS-OKILXGFUSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001379135704 1152579085 /nfs/dbraw/zinc/57/90/85/1152579085.db2.gz BNVTVVAZBUBOHS-OKILXGFUSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001379135704 1152579088 /nfs/dbraw/zinc/57/90/88/1152579088.db2.gz BNVTVVAZBUBOHS-OKILXGFUSA-N 2 2 301.862 2.002 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001330536533 1149182505 /nfs/dbraw/zinc/18/25/05/1149182505.db2.gz AIATXWKINVNDQI-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001330536533 1149182521 /nfs/dbraw/zinc/18/25/21/1149182521.db2.gz AIATXWKINVNDQI-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823910028 608088574 /nfs/dbraw/zinc/08/85/74/608088574.db2.gz WLCVOFYBSKPJHP-UHFFFAOYSA-N 2 2 323.404 2.060 20 30 DEEDLP C=CC[N@H+](CCn1cc[nH+]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823910028 608088575 /nfs/dbraw/zinc/08/85/75/608088575.db2.gz WLCVOFYBSKPJHP-UHFFFAOYSA-N 2 2 323.404 2.060 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001382347593 1153431805 /nfs/dbraw/zinc/43/18/05/1153431805.db2.gz HKBREUHNSYUTKQ-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001382347593 1153431806 /nfs/dbraw/zinc/43/18/06/1153431806.db2.gz HKBREUHNSYUTKQ-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001382347593 1153431807 /nfs/dbraw/zinc/43/18/07/1153431807.db2.gz 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CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439518 625775629 /nfs/dbraw/zinc/77/56/29/625775629.db2.gz BCSXDJHUFRBNBQ-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439518 625775633 /nfs/dbraw/zinc/77/56/33/625775633.db2.gz BCSXDJHUFRBNBQ-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024488099 625811334 /nfs/dbraw/zinc/81/13/34/625811334.db2.gz VJRFMOQBTUEPIG-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024488099 625811339 /nfs/dbraw/zinc/81/13/39/625811339.db2.gz VJRFMOQBTUEPIG-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[NH2+]C1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000999636180 634641907 /nfs/dbraw/zinc/64/19/07/634641907.db2.gz AHNBGEBIUMZITD-UHFFFAOYSA-N 2 2 310.401 2.251 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974685130 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2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000980475433 635015230 /nfs/dbraw/zinc/01/52/30/635015230.db2.gz FYSQOKKGJOLHLM-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981824155 635671509 /nfs/dbraw/zinc/67/15/09/635671509.db2.gz NJLFARBKJIMABK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981824155 635671510 /nfs/dbraw/zinc/67/15/10/635671510.db2.gz NJLFARBKJIMABK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981824155 635671515 /nfs/dbraw/zinc/67/15/15/635671515.db2.gz NJLFARBKJIMABK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981824155 635671517 /nfs/dbraw/zinc/67/15/17/635671517.db2.gz NJLFARBKJIMABK-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130826 635677158 /nfs/dbraw/zinc/67/71/58/635677158.db2.gz WOWYTJCTRYKTCZ-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130826 635677161 /nfs/dbraw/zinc/67/71/61/635677161.db2.gz WOWYTJCTRYKTCZ-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982050587 635844157 /nfs/dbraw/zinc/84/41/57/635844157.db2.gz CINDQZJMNMUPAW-INIZCTEOSA-N 2 2 304.438 2.335 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982050587 635844162 /nfs/dbraw/zinc/84/41/62/635844162.db2.gz CINDQZJMNMUPAW-INIZCTEOSA-N 2 2 304.438 2.335 20 30 DEEDLP C[N@H+](Cc1csc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459711 637053255 /nfs/dbraw/zinc/05/32/55/637053255.db2.gz MCLZEJGPTSFWHD-INIZCTEOSA-N 2 2 318.490 2.220 20 30 DEEDLP C[N@@H+](Cc1csc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459711 637053259 /nfs/dbraw/zinc/05/32/59/637053259.db2.gz MCLZEJGPTSFWHD-INIZCTEOSA-N 2 2 318.490 2.220 20 30 DEEDLP C#CC[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000985556256 639495983 /nfs/dbraw/zinc/49/59/83/639495983.db2.gz BQILZWCNCBVXHO-UHFFFAOYSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000985556256 639495987 /nfs/dbraw/zinc/49/59/87/639495987.db2.gz BQILZWCNCBVXHO-UHFFFAOYSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239499 640763103 /nfs/dbraw/zinc/76/31/03/640763103.db2.gz XHQGYNYMNGBGAI-HOCLYGCPSA-N 2 2 310.401 2.251 20 30 DEEDLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903988020 643541199 /nfs/dbraw/zinc/54/11/99/643541199.db2.gz MPVMQRHXCITVBK-HZPDHXFCSA-N 2 2 301.438 2.203 20 30 DEEDLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903988020 643541201 /nfs/dbraw/zinc/54/12/01/643541201.db2.gz MPVMQRHXCITVBK-HZPDHXFCSA-N 2 2 301.438 2.203 20 30 DEEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000912508913 646091159 /nfs/dbraw/zinc/09/11/59/646091159.db2.gz SYXKQDPMZKHHHK-OAHLLOKOSA-N 2 2 321.469 2.176 20 30 DEEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000817917433 647381449 /nfs/dbraw/zinc/38/14/49/647381449.db2.gz GPKBVKQOFBSWBW-NUEKZKHPSA-N 2 2 317.433 2.464 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000820847300 647930839 /nfs/dbraw/zinc/93/08/39/647930839.db2.gz YSWSIYLATAAZDV-UHFFFAOYSA-N 2 2 303.425 2.471 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000820847300 647930843 /nfs/dbraw/zinc/93/08/43/647930843.db2.gz YSWSIYLATAAZDV-UHFFFAOYSA-N 2 2 303.425 2.471 20 30 DEEDLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770541 648180805 /nfs/dbraw/zinc/18/08/05/648180805.db2.gz IEFFSTXPRGUDOA-CRAIPNDOSA-N 2 2 301.434 2.398 20 30 DEEDLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770541 648180806 /nfs/dbraw/zinc/18/08/06/648180806.db2.gz IEFFSTXPRGUDOA-CRAIPNDOSA-N 2 2 301.434 2.398 20 30 DEEDLP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC(C)C ZINC000072605545 649461916 /nfs/dbraw/zinc/46/19/16/649461916.db2.gz XDXIJQQZABVQEF-ZDUSSCGKSA-N 2 2 308.495 2.458 20 30 DEEDLP CC[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC(C)C ZINC000072605545 649461918 /nfs/dbraw/zinc/46/19/18/649461918.db2.gz XDXIJQQZABVQEF-ZDUSSCGKSA-N 2 2 308.495 2.458 20 30 DEEDLP C[NH+](C)CCC[N@H+](C)CCN=Cc1cc2ccccc2[nH]c1=O ZINC000849171205 651615840 /nfs/dbraw/zinc/61/58/40/651615840.db2.gz ZUXOIWNEWWWXAO-RGEXLXHISA-N 2 2 314.433 2.243 20 30 DEEDLP C[NH+](C)CCC[N@@H+](C)CCN=Cc1cc2ccccc2[nH]c1=O ZINC000849171205 651615844 /nfs/dbraw/zinc/61/58/44/651615844.db2.gz ZUXOIWNEWWWXAO-RGEXLXHISA-N 2 2 314.433 2.243 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000392841270 685450136 /nfs/dbraw/zinc/45/01/36/685450136.db2.gz ZXUYOSASYOHEMY-AWEZNQCLSA-N 2 2 302.418 2.063 20 30 DEEDLP 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MTQNDNYQTSIRAY-LSDHHAIUSA-N 2 2 312.417 2.208 20 30 DEEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086946135 791858731 /nfs/dbraw/zinc/85/87/31/791858731.db2.gz QYFILVMLTIHSNU-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171485932 793093777 /nfs/dbraw/zinc/09/37/77/793093777.db2.gz GGNNORHZYPGZLX-OAHLLOKOSA-N 2 2 319.449 2.473 20 30 DEEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579816 793245251 /nfs/dbraw/zinc/24/52/51/793245251.db2.gz XHNOTXHHHRQIOZ-UHFFFAOYSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103107011 793943280 /nfs/dbraw/zinc/94/32/80/793943280.db2.gz RDGHVGMDUNRXLU-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103107011 793943288 /nfs/dbraw/zinc/94/32/88/793943288.db2.gz RDGHVGMDUNRXLU-KLHDSHLOSA-N 2 2 316.449 2.164 20 30 DEEDLP 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ZINC001115765929 794914008 /nfs/dbraw/zinc/91/40/08/794914008.db2.gz MCUOSIYTARZIOI-HNNXBMFYSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271405 795844266 /nfs/dbraw/zinc/84/42/66/795844266.db2.gz KBULUTCWNUUYRX-BDJLRTHQSA-N 2 2 324.856 2.087 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183581024 795896792 /nfs/dbraw/zinc/89/67/92/795896792.db2.gz DGOYMKOKFBOYAR-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184655349 796100739 /nfs/dbraw/zinc/10/07/39/796100739.db2.gz YRKSOPHBQNQDDO-ZBFHGGJFSA-N 2 2 318.465 2.187 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184800754 796129088 /nfs/dbraw/zinc/12/90/88/796129088.db2.gz YUYKFHDMNVTFGN-CVEARBPZSA-N 2 2 324.428 2.045 20 30 DEEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184853148 796129325 /nfs/dbraw/zinc/12/93/25/796129325.db2.gz 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314.433 2.012 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188255618 796650636 /nfs/dbraw/zinc/65/06/36/796650636.db2.gz RTFVRVCEMDHHNK-KLZNWCGWSA-N 2 2 314.433 2.012 20 30 DEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142928668 796786883 /nfs/dbraw/zinc/78/68/83/796786883.db2.gz GWISGJQNVUNHHT-QFBILLFUSA-N 2 2 324.428 2.192 20 30 DEEDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142928668 796786886 /nfs/dbraw/zinc/78/68/86/796786886.db2.gz GWISGJQNVUNHHT-QFBILLFUSA-N 2 2 324.428 2.192 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142928668 796786890 /nfs/dbraw/zinc/78/68/90/796786890.db2.gz GWISGJQNVUNHHT-QFBILLFUSA-N 2 2 324.428 2.192 20 30 DEEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142928668 796786893 /nfs/dbraw/zinc/78/68/93/796786893.db2.gz GWISGJQNVUNHHT-QFBILLFUSA-N 2 2 324.428 2.192 20 30 DEEDLP 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2.014 20 30 DEEDLP CC#CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165750276 799769646 /nfs/dbraw/zinc/76/96/46/799769646.db2.gz UOTNMOIJFODLMH-UHFFFAOYSA-N 2 2 310.401 2.076 20 30 DEEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816338 800127478 /nfs/dbraw/zinc/12/74/78/800127478.db2.gz VNJPYTKCBKFRAD-HOTGVXAUSA-N 2 2 316.449 2.256 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccc(Br)c(C#N)c2)C[C@H]1C[NH3+] ZINC001205145919 800304003 /nfs/dbraw/zinc/30/40/03/800304003.db2.gz MEKHGTMCBGNGBK-GXFFZTMASA-N 2 2 308.223 2.347 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccc(Br)c(C#N)c2)C[C@H]1C[NH3+] ZINC001205145919 800304007 /nfs/dbraw/zinc/30/40/07/800304007.db2.gz MEKHGTMCBGNGBK-GXFFZTMASA-N 2 2 308.223 2.347 20 30 DEEDLP C=CCCCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209438202 801191624 /nfs/dbraw/zinc/19/16/24/801191624.db2.gz BSLMZRWJJYTZLM-UHFFFAOYSA-N 2 2 323.525 2.463 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229045559 801213996 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C=CCCCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098440 802642329 /nfs/dbraw/zinc/64/23/29/802642329.db2.gz MVECTJYZHQJTQM-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228408684 803355550 /nfs/dbraw/zinc/35/55/50/803355550.db2.gz WIKZCFLGUXCXJF-HNNXBMFYSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001418866196 1168019411 /nfs/dbraw/zinc/01/94/11/1168019411.db2.gz JTTRHANHEIWDSZ-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001418866196 1168019417 /nfs/dbraw/zinc/01/94/17/1168019417.db2.gz JTTRHANHEIWDSZ-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001418866196 1168019422 /nfs/dbraw/zinc/01/94/22/1168019422.db2.gz JTTRHANHEIWDSZ-LSDHHAIUSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001418866196 1168019428 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301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001505937464 1061153004 /nfs/dbraw/zinc/15/30/04/1061153004.db2.gz FHCDMTJIPIUTOH-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001506478424 1062024970 /nfs/dbraw/zinc/02/49/70/1062024970.db2.gz HOFCIWUTWGGAKU-NVXWUHKLSA-N 2 2 318.465 2.074 20 30 DEEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001506478424 1062024991 /nfs/dbraw/zinc/02/49/91/1062024991.db2.gz HOFCIWUTWGGAKU-NVXWUHKLSA-N 2 2 318.465 2.074 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001506683208 1062277165 /nfs/dbraw/zinc/27/71/65/1062277165.db2.gz RGHNBWGOZBIGCP-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480724978 1063250009 /nfs/dbraw/zinc/25/00/09/1063250009.db2.gz NNJQLLLACXUOFL-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP 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1064882578 /nfs/dbraw/zinc/88/25/78/1064882578.db2.gz SNPYAGIBTSGJKA-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001495692015 1065056233 /nfs/dbraw/zinc/05/62/33/1065056233.db2.gz ROAHHZHUKWPKJF-LLVKDONJSA-N 2 2 312.845 2.021 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001495948425 1065189876 /nfs/dbraw/zinc/18/98/76/1065189876.db2.gz QCVKRJQNAVZRJN-LBPRGKRZSA-N 2 2 324.856 2.359 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001569549968 1065585648 /nfs/dbraw/zinc/58/56/48/1065585648.db2.gz MRVMAPIWWVBEBY-KRWDZBQOSA-N 2 2 310.401 2.253 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001569723213 1065692021 /nfs/dbraw/zinc/69/20/21/1065692021.db2.gz SLJYPFDLWSMQFE-WMZOPIPTSA-N 2 2 316.449 2.076 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001569723213 1065692029 /nfs/dbraw/zinc/69/20/29/1065692029.db2.gz SLJYPFDLWSMQFE-WMZOPIPTSA-N 2 2 316.449 2.076 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001569843374 1065760031 /nfs/dbraw/zinc/76/00/31/1065760031.db2.gz OHCNDIMCDCLDHK-LSDHHAIUSA-N 2 2 312.417 2.208 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496893189 1065782782 /nfs/dbraw/zinc/78/27/82/1065782782.db2.gz SCGRXYYUODXZPA-DZGCQCFKSA-N 2 2 310.401 2.074 20 30 DEEDLP C#CCC[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001570261851 1065996441 /nfs/dbraw/zinc/99/64/41/1065996441.db2.gz FATANKWLYHQNSG-MRXNPFEDSA-N 2 2 316.449 2.218 20 30 DEEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001570359289 1066031563 /nfs/dbraw/zinc/03/15/63/1066031563.db2.gz SAHYPQBAXIODIT-LSDHHAIUSA-N 2 2 306.454 2.359 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498358341 1066652497 /nfs/dbraw/zinc/65/24/97/1066652497.db2.gz ZDKRZDRCZHMSPV-CYBMUJFWSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498358341 1066652493 /nfs/dbraw/zinc/65/24/93/1066652493.db2.gz ZDKRZDRCZHMSPV-CYBMUJFWSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267046312 1078525135 /nfs/dbraw/zinc/52/51/35/1078525135.db2.gz ATDAINFJJSVMSS-SJORKVTESA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267046310 1078525407 /nfs/dbraw/zinc/52/54/07/1078525407.db2.gz ATDAINFJJSVMSS-IAGOWNOFSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001483443631 1078536814 /nfs/dbraw/zinc/53/68/14/1078536814.db2.gz MNPJXAZJGMUKLJ-DOTOQJQBSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267061817 1078537823 /nfs/dbraw/zinc/53/78/23/1078537823.db2.gz OUMDXGKMOSSPPE-HZPDHXFCSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267061816 1078538011 /nfs/dbraw/zinc/53/80/11/1078538011.db2.gz OUMDXGKMOSSPPE-HOTGVXAUSA-N 2 2 304.438 2.239 20 30 DEEDLP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001570677307 1068064043 /nfs/dbraw/zinc/06/40/43/1068064043.db2.gz YWJUFMKUEPKLRN-UHFFFAOYSA-N 2 2 318.465 2.024 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001570718441 1068091944 /nfs/dbraw/zinc/09/19/44/1068091944.db2.gz WHEJPBXLXNUWRT-JKSUJKDBSA-N 2 2 306.454 2.483 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001570718441 1068091931 /nfs/dbraw/zinc/09/19/31/1068091931.db2.gz WHEJPBXLXNUWRT-JKSUJKDBSA-N 2 2 306.454 2.483 20 30 DEEDLP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001571362472 1068247897 /nfs/dbraw/zinc/24/78/97/1068247897.db2.gz KAMPJPKPMSHYBT-MRXNPFEDSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001267665232 1079354663 /nfs/dbraw/zinc/35/46/63/1079354663.db2.gz DSZPAGWQUQENPC-OAHLLOKOSA-N 2 2 312.417 2.304 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001267665232 1079354668 /nfs/dbraw/zinc/35/46/68/1079354668.db2.gz DSZPAGWQUQENPC-OAHLLOKOSA-N 2 2 312.417 2.304 20 30 DEEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001565832011 1075192526 /nfs/dbraw/zinc/19/25/26/1075192526.db2.gz SHIGNRQDSHQUHZ-MSOLQXFVSA-N 2 2 315.461 2.398 20 30 DEEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001565832011 1075192531 /nfs/dbraw/zinc/19/25/31/1075192531.db2.gz SHIGNRQDSHQUHZ-MSOLQXFVSA-N 2 2 315.461 2.398 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001565832011 1075192534 /nfs/dbraw/zinc/19/25/34/1075192534.db2.gz SHIGNRQDSHQUHZ-MSOLQXFVSA-N 2 2 315.461 2.398 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001566131714 1075234842 /nfs/dbraw/zinc/23/48/42/1075234842.db2.gz PMMXKYRQSBMJMX-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001566131714 1075234843 /nfs/dbraw/zinc/23/48/43/1075234843.db2.gz PMMXKYRQSBMJMX-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001566131714 1075234846 /nfs/dbraw/zinc/23/48/46/1075234846.db2.gz PMMXKYRQSBMJMX-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001566131714 1075234848 /nfs/dbraw/zinc/23/48/48/1075234848.db2.gz PMMXKYRQSBMJMX-CABCVRRESA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001566895782 1075376848 /nfs/dbraw/zinc/37/68/48/1075376848.db2.gz PARTYMCGCYICIV-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001566895782 1075376850 /nfs/dbraw/zinc/37/68/50/1075376850.db2.gz PARTYMCGCYICIV-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C#CCC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001566984053 1075408081 /nfs/dbraw/zinc/40/80/81/1075408081.db2.gz UPSLGOUTNRXCEK-UHFFFAOYSA-N 2 2 324.428 2.297 20 30 DEEDLP C#CCC[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001267733531 1079425475 /nfs/dbraw/zinc/42/54/75/1079425475.db2.gz SHAYHXUTSIMPPT-UHFFFAOYSA-N 2 2 324.428 2.370 20 30 DEEDLP C#CCC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001267733531 1079425480 /nfs/dbraw/zinc/42/54/80/1079425480.db2.gz SHAYHXUTSIMPPT-UHFFFAOYSA-N 2 2 324.428 2.370 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001484570561 1079668278 /nfs/dbraw/zinc/66/82/78/1079668278.db2.gz VDFPMGOXZYNTKZ-SHTZXODSSA-N 2 2 324.856 2.290 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001481411966 1079801589 /nfs/dbraw/zinc/80/15/89/1079801589.db2.gz NEZQMFCDSZKJAB-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001481411966 1079801592 /nfs/dbraw/zinc/80/15/92/1079801592.db2.gz NEZQMFCDSZKJAB-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001484900096 1079843400 /nfs/dbraw/zinc/84/34/00/1079843400.db2.gz REXFIHCZCJWNRV-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485037060 1079932761 /nfs/dbraw/zinc/93/27/61/1079932761.db2.gz TZOPZSTWRHFVEL-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485040520 1079935198 /nfs/dbraw/zinc/93/51/98/1079935198.db2.gz IASVAOWLFCDXFC-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268408979 1080436946 /nfs/dbraw/zinc/43/69/46/1080436946.db2.gz QUGNWPFHCHDVNV-OAHLLOKOSA-N 2 2 314.433 2.246 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001661231250 1080460580 /nfs/dbraw/zinc/46/05/80/1080460580.db2.gz HFBTYEIUTQCQMG-MRXNPFEDSA-N 2 2 318.465 2.099 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001661231250 1080460585 /nfs/dbraw/zinc/46/05/85/1080460585.db2.gz HFBTYEIUTQCQMG-MRXNPFEDSA-N 2 2 318.465 2.099 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001268776858 1080984450 /nfs/dbraw/zinc/98/44/50/1080984450.db2.gz QWBFLFNGASBKKM-RDJZCZTQSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCC[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001666256697 1081138002 /nfs/dbraw/zinc/13/80/02/1081138002.db2.gz VTGNNOALVMKHJH-UHFFFAOYSA-N 2 2 318.465 2.482 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001666800432 1081181794 /nfs/dbraw/zinc/18/17/94/1081181794.db2.gz OUVNPSYVNDBINX-HNNXBMFYSA-N 2 2 318.465 2.336 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001669832759 1081473243 /nfs/dbraw/zinc/47/32/43/1081473243.db2.gz IIIIDICORJWOLZ-OAHLLOKOSA-N 2 2 306.454 2.329 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001669832759 1081473244 /nfs/dbraw/zinc/47/32/44/1081473244.db2.gz IIIIDICORJWOLZ-OAHLLOKOSA-N 2 2 306.454 2.329 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001669972908 1081484816 /nfs/dbraw/zinc/48/48/16/1081484816.db2.gz BHHMGVXGZQSBJK-CABCVRRESA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266356338 1081995493 /nfs/dbraw/zinc/99/54/93/1081995493.db2.gz TXVOPZCNQKZSCI-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266356338 1081995498 /nfs/dbraw/zinc/99/54/98/1081995498.db2.gz TXVOPZCNQKZSCI-HNNXBMFYSA-N 2 2 304.438 2.198 20 30 DEEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001271285452 1082004660 /nfs/dbraw/zinc/00/46/60/1082004660.db2.gz GJLUKSLKDAKIGU-KRWDZBQOSA-N 2 2 324.428 2.240 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001271741079 1082143321 /nfs/dbraw/zinc/14/33/21/1082143321.db2.gz WARCLNHABSKGKQ-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266764647 1082329256 /nfs/dbraw/zinc/32/92/56/1082329256.db2.gz UMGDYUMWNRBCOR-JKSUJKDBSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266764647 1082329263 /nfs/dbraw/zinc/32/92/63/1082329263.db2.gz UMGDYUMWNRBCOR-JKSUJKDBSA-N 2 2 304.438 2.239 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266766402 1082330750 /nfs/dbraw/zinc/33/07/50/1082330750.db2.gz FRTRSWFRGOKPBK-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266766402 1082330758 /nfs/dbraw/zinc/33/07/58/1082330758.db2.gz FRTRSWFRGOKPBK-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001276586596 1083501892 /nfs/dbraw/zinc/50/18/92/1083501892.db2.gz LXCLYSWSOBXYIP-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001276586596 1083501901 /nfs/dbraw/zinc/50/19/01/1083501901.db2.gz LXCLYSWSOBXYIP-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001276586596 1083501910 /nfs/dbraw/zinc/50/19/10/1083501910.db2.gz LXCLYSWSOBXYIP-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001276586596 1083501921 /nfs/dbraw/zinc/50/19/21/1083501921.db2.gz LXCLYSWSOBXYIP-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001272817255 1084245481 /nfs/dbraw/zinc/24/54/81/1084245481.db2.gz MMKLNQFPSXDMPQ-OAHLLOKOSA-N 2 2 316.449 2.231 20 30 DEEDLP N#CCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001277944986 1084428337 /nfs/dbraw/zinc/42/83/37/1084428337.db2.gz IJWWZRDQRVKZBE-DLBZAZTESA-N 3 2 301.438 2.211 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3CC#N)CC2)c1 ZINC001235526419 1084455944 /nfs/dbraw/zinc/45/59/44/1084455944.db2.gz DERWZBXXKWGLTB-UHFFFAOYSA-N 2 2 322.412 2.478 20 30 DEEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001486087314 1085051280 /nfs/dbraw/zinc/05/12/80/1085051280.db2.gz IMSKUCCZUWAJHW-CRAIPNDOSA-N 2 2 322.412 2.088 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001486402926 1085288219 /nfs/dbraw/zinc/28/82/19/1085288219.db2.gz JVKNAFZPZQUWDE-MRXNPFEDSA-N 2 2 319.449 2.329 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961220432 1085642113 /nfs/dbraw/zinc/64/21/13/1085642113.db2.gz SJSBVMNGXHPUAB-DLBZAZTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961220432 1085642120 /nfs/dbraw/zinc/64/21/20/1085642120.db2.gz SJSBVMNGXHPUAB-DLBZAZTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272968354 1085714577 /nfs/dbraw/zinc/71/45/77/1085714577.db2.gz XGFDURQHCPDQAM-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272968354 1085714584 /nfs/dbraw/zinc/71/45/84/1085714584.db2.gz XGFDURQHCPDQAM-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961440645 1085733438 /nfs/dbraw/zinc/73/34/38/1085733438.db2.gz SLODKWYQCOGNOR-QGZVFWFLSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961440645 1085733451 /nfs/dbraw/zinc/73/34/51/1085733451.db2.gz SLODKWYQCOGNOR-QGZVFWFLSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084753991 1090425481 /nfs/dbraw/zinc/42/54/81/1090425481.db2.gz RIASKZRNNKCFPL-SJLPKXTDSA-N 2 2 322.412 2.205 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084753991 1090425486 /nfs/dbraw/zinc/42/54/86/1090425486.db2.gz RIASKZRNNKCFPL-SJLPKXTDSA-N 2 2 322.412 2.205 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001273468915 1091863602 /nfs/dbraw/zinc/86/36/02/1091863602.db2.gz XCFZLCAJHOLXFQ-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245977582 1140840289 /nfs/dbraw/zinc/84/02/89/1140840289.db2.gz GWZXLEXEMRCEFY-HOTGVXAUSA-N 2 2 314.470 2.134 20 30 DEEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245978212 1140840439 /nfs/dbraw/zinc/84/04/39/1140840439.db2.gz KQNBXCMLDVUILQ-HOTGVXAUSA-N 2 2 316.486 2.358 20 30 DEEDLP CC#CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001324484436 1142086268 /nfs/dbraw/zinc/08/62/68/1142086268.db2.gz XKURWFPBXSRUNT-GOSISDBHSA-N 2 2 324.428 2.464 20 30 DEEDLP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252619616 1142790762 /nfs/dbraw/zinc/79/07/62/1142790762.db2.gz NLKIALNPCODDAZ-SFHVURJKSA-N 2 2 304.434 2.273 20 30 DEEDLP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278682023 1142814917 /nfs/dbraw/zinc/81/49/17/1142814917.db2.gz QDQIWZHVIHAEPT-NVXWUHKLSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278682023 1142814919 /nfs/dbraw/zinc/81/49/19/1142814919.db2.gz QDQIWZHVIHAEPT-NVXWUHKLSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001258720803 1144035032 /nfs/dbraw/zinc/03/50/32/1144035032.db2.gz GGXJLHDZFVILPP-INIZCTEOSA-N 2 2 315.461 2.451 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001264162034 1144492216 /nfs/dbraw/zinc/49/22/16/1144492216.db2.gz GBOGPARDRQSWIQ-XHSDSOJGSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001264162034 1144492224 /nfs/dbraw/zinc/49/22/24/1144492224.db2.gz GBOGPARDRQSWIQ-XHSDSOJGSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001265319637 1144692486 /nfs/dbraw/zinc/69/24/86/1144692486.db2.gz OXJROPNAKRKCNW-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001265319637 1144692490 /nfs/dbraw/zinc/69/24/90/1144692490.db2.gz OXJROPNAKRKCNW-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265586101 1144715195 /nfs/dbraw/zinc/71/51/95/1144715195.db2.gz ADQSRUCVXXAPED-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265586101 1144715198 /nfs/dbraw/zinc/71/51/98/1144715198.db2.gz ADQSRUCVXXAPED-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001284156896 1145807319 /nfs/dbraw/zinc/80/73/19/1145807319.db2.gz ZOCCMQPEJKFQEO-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001284156896 1145807322 /nfs/dbraw/zinc/80/73/22/1145807322.db2.gz ZOCCMQPEJKFQEO-GJZGRUSLSA-N 2 2 315.889 2.440 20 30 DEEDLP C=CC[NH+]1CCC(C2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001284846323 1145936792 /nfs/dbraw/zinc/93/67/92/1145936792.db2.gz NTNUYCDQDMOABN-OAHLLOKOSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738155 1147593790 /nfs/dbraw/zinc/59/37/90/1147593790.db2.gz JSKSKANDVZMHQV-VNQPRFMTSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738155 1147593794 /nfs/dbraw/zinc/59/37/94/1147593794.db2.gz JSKSKANDVZMHQV-VNQPRFMTSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738155 1147593796 /nfs/dbraw/zinc/59/37/96/1147593796.db2.gz JSKSKANDVZMHQV-VNQPRFMTSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738155 1147593800 /nfs/dbraw/zinc/59/38/00/1147593800.db2.gz JSKSKANDVZMHQV-VNQPRFMTSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316760809 1147594854 /nfs/dbraw/zinc/59/48/54/1147594854.db2.gz PVYRCWJCUISQRS-ZACQAIPSSA-N 2 2 316.449 2.018 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316760809 1147594858 /nfs/dbraw/zinc/59/48/58/1147594858.db2.gz PVYRCWJCUISQRS-ZACQAIPSSA-N 2 2 316.449 2.018 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001316811583 1147605109 /nfs/dbraw/zinc/60/51/09/1147605109.db2.gz RXZRQUOSGUSOFA-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)CC(C)(C)C1 ZINC001316811583 1147605113 /nfs/dbraw/zinc/60/51/13/1147605113.db2.gz RXZRQUOSGUSOFA-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317113955 1147661145 /nfs/dbraw/zinc/66/11/45/1147661145.db2.gz ADQZETIJZXCLDR-FPCVCCKLSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844835 1147757261 /nfs/dbraw/zinc/75/72/61/1147757261.db2.gz GAMCMPNWCKNASV-IAGOWNOFSA-N 2 2 318.465 2.408 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317844835 1147757263 /nfs/dbraw/zinc/75/72/63/1147757263.db2.gz GAMCMPNWCKNASV-IAGOWNOFSA-N 2 2 318.465 2.408 20 30 DEEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329846569 404469099 /nfs/dbraw/zinc/46/90/99/404469099.db2.gz OXQZDUXEJKQLEV-INIZCTEOSA-N 2 2 319.453 2.056 20 30 DEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@@H]1C ZINC000083902637 355470752 /nfs/dbraw/zinc/47/07/52/355470752.db2.gz SYQCYXUFANVZFY-JSGCOSHPSA-N 2 2 306.479 2.070 20 30 DEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1C[C@@H]1C ZINC000083902637 355470758 /nfs/dbraw/zinc/47/07/58/355470758.db2.gz SYQCYXUFANVZFY-JSGCOSHPSA-N 2 2 306.479 2.070 20 30 DEEDLP N#C[C@H](c1ccccc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183190961 356162686 /nfs/dbraw/zinc/16/26/86/356162686.db2.gz ZBMAENMGMFNRAV-GOSISDBHSA-N 2 2 309.417 2.156 20 30 DEEDLP CN(C(=O)CCCCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588648416 357414154 /nfs/dbraw/zinc/41/41/54/357414154.db2.gz WSQDESBFHFBEGA-QGZVFWFLSA-N 2 2 320.481 2.087 20 30 DEEDLP CN(C(=O)CCCCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588648416 357414159 /nfs/dbraw/zinc/41/41/59/357414159.db2.gz WSQDESBFHFBEGA-QGZVFWFLSA-N 2 2 320.481 2.087 20 30 DEEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594500710 358284554 /nfs/dbraw/zinc/28/45/54/358284554.db2.gz SFLYSBSNJKIBHL-IEBWSBKVSA-N 2 2 311.429 2.388 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCCF)CC2)cc1 ZINC000596056981 358599734 /nfs/dbraw/zinc/59/97/34/358599734.db2.gz DFPIPMYINUQOGA-UHFFFAOYSA-N 2 2 305.397 2.098 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000598718817 359304419 /nfs/dbraw/zinc/30/44/19/359304419.db2.gz DFUAOYLCSFSAMR-CYBMUJFWSA-N 2 2 300.406 2.386 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000598608214 359260699 /nfs/dbraw/zinc/26/06/99/359260699.db2.gz UEBIIUOCNODSGU-HUUCEWRRSA-N 2 2 316.449 2.309 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000598608214 359260704 /nfs/dbraw/zinc/26/07/04/359260704.db2.gz UEBIIUOCNODSGU-HUUCEWRRSA-N 2 2 316.449 2.309 20 30 DEEDLP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000602511102 360410773 /nfs/dbraw/zinc/41/07/73/360410773.db2.gz MPRMVINPRSQXBV-UHFFFAOYSA-N 2 2 306.413 2.491 20 30 DEEDLP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)n1 ZINC000602511102 360410777 /nfs/dbraw/zinc/41/07/77/360410777.db2.gz MPRMVINPRSQXBV-UHFFFAOYSA-N 2 2 306.413 2.491 20 30 DEEDLP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442719957 238068307 /nfs/dbraw/zinc/06/83/07/238068307.db2.gz QQGMMNSPYUWSBA-ROUUACIJSA-N 2 2 312.461 2.481 20 30 DEEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449696590 240944889 /nfs/dbraw/zinc/94/48/89/240944889.db2.gz IGERACPIODRVSI-LJQANCHMSA-N 2 2 313.445 2.439 20 30 DEEDLP C=CC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631074563 368003188 /nfs/dbraw/zinc/00/31/88/368003188.db2.gz CMMXOUCDCGUBOH-MRXNPFEDSA-N 2 2 304.434 2.452 20 30 DEEDLP CN(c1cccc(F)c1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372605875 133360395 /nfs/dbraw/zinc/36/03/95/133360395.db2.gz LHNKUCHXHZRSEP-HNNXBMFYSA-N 2 2 316.424 2.302 20 30 DEEDLP CN(c1cccc(F)c1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372605875 133360396 /nfs/dbraw/zinc/36/03/96/133360396.db2.gz LHNKUCHXHZRSEP-HNNXBMFYSA-N 2 2 316.424 2.302 20 30 DEEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccc(F)cc1 ZINC000170913277 402541428 /nfs/dbraw/zinc/54/14/28/402541428.db2.gz GPHLBSAPSUEMCK-CQSZACIVSA-N 2 2 301.369 2.250 20 30 DEEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)c1 ZINC000170906481 402540474 /nfs/dbraw/zinc/54/04/74/402540474.db2.gz DDKUNSJNMDSVEN-OAHLLOKOSA-N 2 2 313.405 2.120 20 30 DEEDLP C[NH+]=C(NCC[N@H+](C)Cc1ccccc1)NCc1ccco1 ZINC000171411255 402584771 /nfs/dbraw/zinc/58/47/71/402584771.db2.gz RSLRSTJWVLNWLE-UHFFFAOYSA-N 2 2 300.406 2.077 20 30 DEEDLP C[NH+]=C(NCC[N@@H+](C)Cc1ccccc1)NCc1ccco1 ZINC000171411255 402584772 /nfs/dbraw/zinc/58/47/72/402584772.db2.gz RSLRSTJWVLNWLE-UHFFFAOYSA-N 2 2 300.406 2.077 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000251571686 402648176 /nfs/dbraw/zinc/64/81/76/402648176.db2.gz UZVKZKCJQKGZKL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000251571686 402648178 /nfs/dbraw/zinc/64/81/78/402648178.db2.gz UZVKZKCJQKGZKL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000251571686 402648180 /nfs/dbraw/zinc/64/81/80/402648180.db2.gz UZVKZKCJQKGZKL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000251571686 402648182 /nfs/dbraw/zinc/64/81/82/402648182.db2.gz UZVKZKCJQKGZKL-HOCLYGCPSA-N 2 2 314.433 2.159 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000283977051 403236089 /nfs/dbraw/zinc/23/60/89/403236089.db2.gz MMDXRIRARMMYAI-WAVCKPEOSA-N 2 2 302.422 2.238 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1F ZINC000340920490 403697849 /nfs/dbraw/zinc/69/78/49/403697849.db2.gz RTHSQXDIHTZSIE-IKGGRYGDSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1F ZINC000340920490 403697852 /nfs/dbraw/zinc/69/78/52/403697852.db2.gz RTHSQXDIHTZSIE-IKGGRYGDSA-N 2 2 317.408 2.381 20 30 DEEDLP C=C(Br)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364132082 404323463 /nfs/dbraw/zinc/32/34/63/404323463.db2.gz KRRFRBOPMSTFOH-UHFFFAOYSA-N 2 2 317.271 2.329 20 30 DEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000329949041 404504061 /nfs/dbraw/zinc/50/40/61/404504061.db2.gz LFTKHMKVBNPLSU-KLHDSHLOSA-N 2 2 319.453 2.163 20 30 DEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000329949041 404504067 /nfs/dbraw/zinc/50/40/67/404504067.db2.gz LFTKHMKVBNPLSU-KLHDSHLOSA-N 2 2 319.453 2.163 20 30 DEEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000329949041 404504073 /nfs/dbraw/zinc/50/40/73/404504073.db2.gz LFTKHMKVBNPLSU-KLHDSHLOSA-N 2 2 319.453 2.163 20 30 DEEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000329949041 404504077 /nfs/dbraw/zinc/50/40/77/404504077.db2.gz LFTKHMKVBNPLSU-KLHDSHLOSA-N 2 2 319.453 2.163 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350731486 404454443 /nfs/dbraw/zinc/45/44/43/404454443.db2.gz APEYJRWJSPXYFC-WMZOPIPTSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350731486 404454445 /nfs/dbraw/zinc/45/44/45/404454445.db2.gz APEYJRWJSPXYFC-WMZOPIPTSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350731486 404454447 /nfs/dbraw/zinc/45/44/47/404454447.db2.gz APEYJRWJSPXYFC-WMZOPIPTSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350731486 404454450 /nfs/dbraw/zinc/45/44/50/404454450.db2.gz APEYJRWJSPXYFC-WMZOPIPTSA-N 2 2 319.493 2.239 20 30 DEEDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353408334 404824864 /nfs/dbraw/zinc/82/48/64/404824864.db2.gz CRTAELBUGXZQPV-MJGOQNOKSA-N 2 2 313.445 2.228 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000420387734 405340245 /nfs/dbraw/zinc/34/02/45/405340245.db2.gz KWTZFYOHAFGTLE-AWEZNQCLSA-N 2 2 309.479 2.193 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000420387734 405340248 /nfs/dbraw/zinc/34/02/48/405340248.db2.gz KWTZFYOHAFGTLE-AWEZNQCLSA-N 2 2 309.479 2.193 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000420909747 405403136 /nfs/dbraw/zinc/40/31/36/405403136.db2.gz GEOXWNMKBFTKAS-UHFFFAOYSA-N 2 2 302.422 2.148 20 30 DEEDLP Cn1cc(C[N@H+](C)CCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000580676746 405665214 /nfs/dbraw/zinc/66/52/14/405665214.db2.gz CKJHQWDMWPJCPA-UHFFFAOYSA-N 2 2 311.433 2.342 20 30 DEEDLP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000580676746 405665219 /nfs/dbraw/zinc/66/52/19/405665219.db2.gz CKJHQWDMWPJCPA-UHFFFAOYSA-N 2 2 311.433 2.342 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423495160 405826706 /nfs/dbraw/zinc/82/67/06/405826706.db2.gz DYJMKSVVNZMSPO-MJGOQNOKSA-N 3 2 312.461 2.240 20 30 DEEDLP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000588489706 405879279 /nfs/dbraw/zinc/87/92/79/405879279.db2.gz FODQCAHMJMWFMA-AXMVSILFSA-N 2 2 313.445 2.439 20 30 DEEDLP N#CCc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000566306263 406087964 /nfs/dbraw/zinc/08/79/64/406087964.db2.gz KNXNCOKHWAVFCD-UHFFFAOYSA-N 2 2 313.445 2.079 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069153 406249261 /nfs/dbraw/zinc/24/92/61/406249261.db2.gz WADRPTNINAQQGM-ZFWWWQNUSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069153 406249265 /nfs/dbraw/zinc/24/92/65/406249265.db2.gz WADRPTNINAQQGM-ZFWWWQNUSA-N 2 2 323.400 2.108 20 30 DEEDLP Cc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1C#N ZINC000487863215 406267034 /nfs/dbraw/zinc/26/70/34/406267034.db2.gz UPJMHBWKZHHRMF-UHFFFAOYSA-N 2 2 301.434 2.145 20 30 DEEDLP Cc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1C#N ZINC000487863215 406267038 /nfs/dbraw/zinc/26/70/38/406267038.db2.gz UPJMHBWKZHHRMF-UHFFFAOYSA-N 2 2 301.434 2.145 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000491165888 406536210 /nfs/dbraw/zinc/53/62/10/406536210.db2.gz NYPCXCSTMZXBIH-SFHVURJKSA-N 2 2 312.392 2.250 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000491165888 406536212 /nfs/dbraw/zinc/53/62/12/406536212.db2.gz NYPCXCSTMZXBIH-SFHVURJKSA-N 2 2 312.392 2.250 20 30 DEEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129365419 196042739 /nfs/dbraw/zinc/04/27/39/196042739.db2.gz OYVDBCGNIOQEMR-YOEHRIQHSA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129365419 196042741 /nfs/dbraw/zinc/04/27/41/196042741.db2.gz OYVDBCGNIOQEMR-YOEHRIQHSA-N 2 2 323.400 2.276 20 30 DEEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cc(F)ccc1F ZINC000262303089 225267890 /nfs/dbraw/zinc/26/78/90/225267890.db2.gz QVSUVUMYSUGICJ-UHFFFAOYSA-N 2 2 319.359 2.467 20 30 DEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCSCc1ccccc1C#N ZINC000422988311 230308898 /nfs/dbraw/zinc/30/88/98/230308898.db2.gz KJCSBIIMLMPRSN-PBHICJAKSA-N 2 2 319.474 2.148 20 30 DEEDLP C=CC[NH+]1CCC(Nc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450315053 425068874 /nfs/dbraw/zinc/06/88/74/425068874.db2.gz CVHUZDHBZVMMTD-UHFFFAOYSA-N 2 2 311.433 2.758 20 30 DEEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1=O ZINC000660677609 425205222 /nfs/dbraw/zinc/20/52/22/425205222.db2.gz NHABDJKGTMWLCY-GOSISDBHSA-N 2 2 313.445 2.028 20 30 DEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000515073713 269343055 /nfs/dbraw/zinc/34/30/55/269343055.db2.gz SDQOWDLIKSBZHG-QGZVFWFLSA-N 2 2 317.408 2.384 20 30 DEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000515073713 269343056 /nfs/dbraw/zinc/34/30/56/269343056.db2.gz SDQOWDLIKSBZHG-QGZVFWFLSA-N 2 2 317.408 2.384 20 30 DEEDLP CC(C)C[NH+]1CCC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000329219749 277382932 /nfs/dbraw/zinc/38/29/32/277382932.db2.gz SRWOYTHYIQRBFI-INIZCTEOSA-N 2 2 321.469 2.100 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843240 279237247 /nfs/dbraw/zinc/23/72/47/279237247.db2.gz PLQBDCQIPNXNDL-HUUCEWRRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843240 279237250 /nfs/dbraw/zinc/23/72/50/279237250.db2.gz PLQBDCQIPNXNDL-HUUCEWRRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843240 279237253 /nfs/dbraw/zinc/23/72/53/279237253.db2.gz PLQBDCQIPNXNDL-HUUCEWRRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843240 279237255 /nfs/dbraw/zinc/23/72/55/279237255.db2.gz PLQBDCQIPNXNDL-HUUCEWRRSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000118400088 290219131 /nfs/dbraw/zinc/21/91/31/290219131.db2.gz SYWXHJJWNXQKCX-OAHLLOKOSA-N 2 2 301.434 2.398 20 30 DEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000118400088 290219134 /nfs/dbraw/zinc/21/91/34/290219134.db2.gz SYWXHJJWNXQKCX-OAHLLOKOSA-N 2 2 301.434 2.398 20 30 DEEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)N1 ZINC000262474348 297088557 /nfs/dbraw/zinc/08/85/57/297088557.db2.gz BSLJIWKANZBKJT-MFKMUULPSA-N 2 2 314.355 2.245 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000569902128 332690925 /nfs/dbraw/zinc/69/09/25/332690925.db2.gz PMSYEDQIBKZFPJ-ZFWWWQNUSA-N 2 2 317.437 2.229 20 30 DEEDLP COc1cccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)c1 ZINC000264056730 533716687 /nfs/dbraw/zinc/71/66/87/533716687.db2.gz BFESHUZXCVURAE-QGZVFWFLSA-N 2 2 318.465 2.345 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001377340268 1160239291 /nfs/dbraw/zinc/23/92/91/1160239291.db2.gz PMDIOIBXIQUDOP-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001377340268 1160239304 /nfs/dbraw/zinc/23/93/04/1160239304.db2.gz PMDIOIBXIQUDOP-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001377340268 1160239311 /nfs/dbraw/zinc/23/93/11/1160239311.db2.gz PMDIOIBXIQUDOP-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001377340268 1160239317 /nfs/dbraw/zinc/23/93/17/1160239317.db2.gz PMDIOIBXIQUDOP-HNNXBMFYSA-N 2 2 315.889 2.440 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c2cc1C ZINC000268293728 534137357 /nfs/dbraw/zinc/13/73/57/534137357.db2.gz KCKLKJXVBPKLQW-CABCVRRESA-N 2 2 300.406 2.248 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c2cc1C ZINC000268293728 534137366 /nfs/dbraw/zinc/13/73/66/534137366.db2.gz KCKLKJXVBPKLQW-CABCVRRESA-N 2 2 300.406 2.248 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001378877083 1152476299 /nfs/dbraw/zinc/47/62/99/1152476299.db2.gz WJMRLMGZOITVDI-IHRRRGAJSA-N 2 2 310.829 2.071 20 30 DEEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000337136590 526477637 /nfs/dbraw/zinc/47/76/37/526477637.db2.gz NILXZNGDOIWJHN-QZTJIDSGSA-N 2 2 319.493 2.217 20 30 DEEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000337136590 526477642 /nfs/dbraw/zinc/47/76/42/526477642.db2.gz NILXZNGDOIWJHN-QZTJIDSGSA-N 2 2 319.493 2.217 20 30 DEEDLP C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370450078 527032066 /nfs/dbraw/zinc/03/20/66/527032066.db2.gz PLRZSAHTOZDZTF-INIZCTEOSA-N 2 2 305.466 2.040 20 30 DEEDLP C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370450078 527032069 /nfs/dbraw/zinc/03/20/69/527032069.db2.gz PLRZSAHTOZDZTF-INIZCTEOSA-N 2 2 305.466 2.040 20 30 DEEDLP C=CCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000190783478 527052085 /nfs/dbraw/zinc/05/20/85/527052085.db2.gz GGCPSHZGPWXHOL-UHFFFAOYSA-N 2 2 319.493 2.408 20 30 DEEDLP CC(C)c1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000266994090 528500442 /nfs/dbraw/zinc/50/04/42/528500442.db2.gz CWWDVDHMWUMSJQ-UHFFFAOYSA-N 2 2 317.393 2.092 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482158 625475011 /nfs/dbraw/zinc/47/50/11/625475011.db2.gz MWNYHXBONPRSQM-HZPDHXFCSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482158 625475013 /nfs/dbraw/zinc/47/50/13/625475013.db2.gz MWNYHXBONPRSQM-HZPDHXFCSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025490149 625481108 /nfs/dbraw/zinc/48/11/08/625481108.db2.gz QFHIFGCSWOJBRY-JKSUJKDBSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025490149 625481111 /nfs/dbraw/zinc/48/11/11/625481111.db2.gz QFHIFGCSWOJBRY-JKSUJKDBSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680302 623948490 /nfs/dbraw/zinc/94/84/90/623948490.db2.gz XDLGAEOMRHYJNA-UKRRQHHQSA-N 2 2 322.840 2.018 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680302 623948493 /nfs/dbraw/zinc/94/84/93/623948493.db2.gz XDLGAEOMRHYJNA-UKRRQHHQSA-N 2 2 322.840 2.018 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947442220 624096187 /nfs/dbraw/zinc/09/61/87/624096187.db2.gz RHLAEIFWMUPRHD-ZBFHGGJFSA-N 2 2 317.433 2.178 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947442220 624096195 /nfs/dbraw/zinc/09/61/95/624096195.db2.gz RHLAEIFWMUPRHD-ZBFHGGJFSA-N 2 2 317.433 2.178 20 30 DEEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439519 625775915 /nfs/dbraw/zinc/77/59/15/625775915.db2.gz BCSXDJHUFRBNBQ-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439519 625775925 /nfs/dbraw/zinc/77/59/25/625775925.db2.gz BCSXDJHUFRBNBQ-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630692 625943215 /nfs/dbraw/zinc/94/32/15/625943215.db2.gz VDWYAWUXWNNHAL-OAHLLOKOSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630692 625943219 /nfs/dbraw/zinc/94/32/19/625943219.db2.gz VDWYAWUXWNNHAL-OAHLLOKOSA-N 2 2 313.873 2.051 20 30 DEEDLP C=CC[NH+]1CCC(C2(NC(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC001000208551 634792311 /nfs/dbraw/zinc/79/23/11/634792311.db2.gz BTWDYWNXJYITCB-UHFFFAOYSA-N 2 2 324.428 2.495 20 30 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20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911320 637224420 /nfs/dbraw/zinc/22/44/20/637224420.db2.gz OHLNXCQBDRCJNS-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001006292368 637332494 /nfs/dbraw/zinc/33/24/94/637332494.db2.gz NKTGDPBFYNJPKD-UHFFFAOYSA-N 2 2 304.438 2.186 20 30 DEEDLP C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896989830 639116540 /nfs/dbraw/zinc/11/65/40/639116540.db2.gz WUBXYCROKSXWLO-SFHVURJKSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896989830 639116544 /nfs/dbraw/zinc/11/65/44/639116544.db2.gz WUBXYCROKSXWLO-SFHVURJKSA-N 2 2 319.493 2.360 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643690 639557753 /nfs/dbraw/zinc/55/77/53/639557753.db2.gz SXDZVVYDRQPPNU-OAHLLOKOSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643690 639557758 /nfs/dbraw/zinc/55/77/58/639557758.db2.gz SXDZVVYDRQPPNU-OAHLLOKOSA-N 2 2 316.449 2.329 20 30 DEEDLP CC[NH+](CC)CC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758225598 639931300 /nfs/dbraw/zinc/93/13/00/639931300.db2.gz YNFHRCAXBJKQFW-UHFFFAOYSA-N 2 2 316.449 2.040 20 30 DEEDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C[NH+](C)C ZINC000926957376 641534751 /nfs/dbraw/zinc/53/47/51/641534751.db2.gz AOYAODYSCDJAQR-YOEHRIQHSA-N 2 2 305.422 2.206 20 30 DEEDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)C[NH+](C)C ZINC000926957374 641535137 /nfs/dbraw/zinc/53/51/37/641535137.db2.gz AOYAODYSCDJAQR-RHSMWYFYSA-N 2 2 305.422 2.206 20 30 DEEDLP C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000776177776 642139433 /nfs/dbraw/zinc/13/94/33/642139433.db2.gz USAOQGCLQYBJNY-INIZCTEOSA-N 2 2 300.450 2.132 20 30 DEEDLP C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NN1CC[NH+](C)CC1 ZINC000776177776 642139434 /nfs/dbraw/zinc/13/94/34/642139434.db2.gz USAOQGCLQYBJNY-INIZCTEOSA-N 2 2 300.450 2.132 20 30 DEEDLP COC[C@@H](CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000902280965 642978620 /nfs/dbraw/zinc/97/86/20/642978620.db2.gz IIFAVDDQXYJRAR-INIZCTEOSA-N 2 2 307.438 2.304 20 30 DEEDLP C#Cc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000809567393 646238071 /nfs/dbraw/zinc/23/80/71/646238071.db2.gz CMFWPWVXRLRPJD-UHFFFAOYSA-N 2 2 307.397 2.394 20 30 DEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000817919897 647382133 /nfs/dbraw/zinc/38/21/33/647382133.db2.gz WIFOEUWXCLYWBV-USXIJHARSA-N 2 2 317.433 2.224 20 30 DEEDLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770543 648180707 /nfs/dbraw/zinc/18/07/07/648180707.db2.gz IEFFSTXPRGUDOA-MAUKXSAKSA-N 2 2 301.434 2.398 20 30 DEEDLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770543 648180709 /nfs/dbraw/zinc/18/07/09/648180709.db2.gz IEFFSTXPRGUDOA-MAUKXSAKSA-N 2 2 301.434 2.398 20 30 DEEDLP C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000827850283 649094552 /nfs/dbraw/zinc/09/45/52/649094552.db2.gz NCEMRYAHOMACGO-SFHVURJKSA-N 2 2 316.445 2.241 20 30 DEEDLP C#CCOc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000827850283 649094553 /nfs/dbraw/zinc/09/45/53/649094553.db2.gz NCEMRYAHOMACGO-SFHVURJKSA-N 2 2 316.445 2.241 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053499 649143662 /nfs/dbraw/zinc/14/36/62/649143662.db2.gz QCRYNTNPZQQIRL-BBRMVZONSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053499 649143664 /nfs/dbraw/zinc/14/36/64/649143664.db2.gz QCRYNTNPZQQIRL-BBRMVZONSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212486 693884346 /nfs/dbraw/zinc/88/43/46/693884346.db2.gz HVZKXXKMWCUUAS-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212486 693884351 /nfs/dbraw/zinc/88/43/51/693884351.db2.gz HVZKXXKMWCUUAS-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212486 693884355 /nfs/dbraw/zinc/88/43/55/693884355.db2.gz HVZKXXKMWCUUAS-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212486 693884359 /nfs/dbraw/zinc/88/43/59/693884359.db2.gz HVZKXXKMWCUUAS-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP CCC(CC)[C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCOCC1 ZINC000303789756 685235464 /nfs/dbraw/zinc/23/54/64/685235464.db2.gz VSBHZUSEOPBMCJ-MRXNPFEDSA-N 2 2 312.502 2.074 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033949691 689670592 /nfs/dbraw/zinc/67/05/92/689670592.db2.gz KONKAVWXUBCGGX-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033949691 689670596 /nfs/dbraw/zinc/67/05/96/689670596.db2.gz KONKAVWXUBCGGX-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252466 689782793 /nfs/dbraw/zinc/78/27/93/689782793.db2.gz QSPIPEMCJWAZIZ-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252466 689782797 /nfs/dbraw/zinc/78/27/97/689782797.db2.gz QSPIPEMCJWAZIZ-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252466 689782800 /nfs/dbraw/zinc/78/28/00/689782800.db2.gz QSPIPEMCJWAZIZ-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252466 689782805 /nfs/dbraw/zinc/78/28/05/689782805.db2.gz QSPIPEMCJWAZIZ-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035195754 690056354 /nfs/dbraw/zinc/05/63/54/690056354.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035195754 690056355 /nfs/dbraw/zinc/05/63/55/690056355.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035195754 690056360 /nfs/dbraw/zinc/05/63/60/690056360.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035195754 690056363 /nfs/dbraw/zinc/05/63/63/690056363.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869922 690507246 /nfs/dbraw/zinc/50/72/46/690507246.db2.gz MCJXJPNIHBAVAL-LSDHHAIUSA-N 2 2 316.449 2.186 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869922 690507248 /nfs/dbraw/zinc/50/72/48/690507248.db2.gz MCJXJPNIHBAVAL-LSDHHAIUSA-N 2 2 316.449 2.186 20 30 DEEDLP 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691419836 /nfs/dbraw/zinc/41/98/36/691419836.db2.gz RKAMIXKDTAQYSF-YJBOKZPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733251 691419838 /nfs/dbraw/zinc/41/98/38/691419838.db2.gz RKAMIXKDTAQYSF-YJBOKZPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733251 691419841 /nfs/dbraw/zinc/41/98/41/691419841.db2.gz RKAMIXKDTAQYSF-YJBOKZPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733251 691419843 /nfs/dbraw/zinc/41/98/43/691419843.db2.gz RKAMIXKDTAQYSF-YJBOKZPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000883131573 691436738 /nfs/dbraw/zinc/43/67/38/691436738.db2.gz ITIDBMMBHKOUMG-UHFFFAOYSA-N 2 2 312.360 2.341 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000883131573 691436740 /nfs/dbraw/zinc/43/67/40/691436740.db2.gz ITIDBMMBHKOUMG-UHFFFAOYSA-N 2 2 312.360 2.341 20 30 DEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001044801806 691889322 /nfs/dbraw/zinc/88/93/22/691889322.db2.gz BYTONQPEXHNWNY-WBVHZDCISA-N 2 2 322.412 2.088 20 30 DEEDLP N#CC1(C[C@@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000886094440 692002102 /nfs/dbraw/zinc/00/21/02/692002102.db2.gz RVHIKVAYMWFHCU-MRXNPFEDSA-N 2 2 314.433 2.403 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757626 692989457 /nfs/dbraw/zinc/98/94/57/692989457.db2.gz ACKJBXSFTXWCAZ-BZUAXINKSA-N 2 2 302.422 2.086 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757626 692989461 /nfs/dbraw/zinc/98/94/61/692989461.db2.gz ACKJBXSFTXWCAZ-BZUAXINKSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152364 693122934 /nfs/dbraw/zinc/12/29/34/693122934.db2.gz MOPHGNRXBBIXHA-IXDOHACOSA-N 2 2 316.449 2.333 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152364 693122935 /nfs/dbraw/zinc/12/29/35/693122935.db2.gz MOPHGNRXBBIXHA-IXDOHACOSA-N 2 2 316.449 2.333 20 30 DEEDLP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(C#N)c1O ZINC000924654565 693165666 /nfs/dbraw/zinc/16/56/66/693165666.db2.gz UMEPYLXFUZDDRH-INIZCTEOSA-N 2 2 305.422 2.273 20 30 DEEDLP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(C#N)c1O ZINC000924654565 693165670 /nfs/dbraw/zinc/16/56/70/693165670.db2.gz UMEPYLXFUZDDRH-INIZCTEOSA-N 2 2 305.422 2.273 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC)cc1 ZINC000926962383 693536786 /nfs/dbraw/zinc/53/67/86/693536786.db2.gz LNFZEKCHVDUPQQ-MAUKXSAKSA-N 2 2 304.434 2.316 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699847 693598288 /nfs/dbraw/zinc/59/82/88/693598288.db2.gz CVHIVVLMPDGECX-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699847 693598292 /nfs/dbraw/zinc/59/82/92/693598292.db2.gz CVHIVVLMPDGECX-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104320 693690109 /nfs/dbraw/zinc/69/01/09/693690109.db2.gz ODTGETSHXXKWLG-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104320 693690111 /nfs/dbraw/zinc/69/01/11/693690111.db2.gz ODTGETSHXXKWLG-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001371566626 1155874048 /nfs/dbraw/zinc/87/40/48/1155874048.db2.gz LAFXKCNAXBRRIN-ZDUSSCGKSA-N 2 2 318.808 2.139 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001372649107 1156638451 /nfs/dbraw/zinc/63/84/51/1156638451.db2.gz LTMKCENVTBOFPZ-AWEZNQCLSA-N 2 2 324.856 2.197 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001372649107 1156638464 /nfs/dbraw/zinc/63/84/64/1156638464.db2.gz LTMKCENVTBOFPZ-AWEZNQCLSA-N 2 2 324.856 2.197 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392670425 1157317559 /nfs/dbraw/zinc/31/75/59/1157317559.db2.gz DKARMWLUOVIMCZ-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392670425 1157317569 /nfs/dbraw/zinc/31/75/69/1157317569.db2.gz DKARMWLUOVIMCZ-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001375177305 1158369802 /nfs/dbraw/zinc/36/98/02/1158369802.db2.gz NYVBQUOKASZROU-ZFWWWQNUSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001375177305 1158369810 /nfs/dbraw/zinc/36/98/10/1158369810.db2.gz NYVBQUOKASZROU-ZFWWWQNUSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001403926326 1163300675 /nfs/dbraw/zinc/30/06/75/1163300675.db2.gz STPXBECHWTVFNM-GJZGRUSLSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001403926326 1163300677 /nfs/dbraw/zinc/30/06/77/1163300677.db2.gz STPXBECHWTVFNM-GJZGRUSLSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001406105912 1164448480 /nfs/dbraw/zinc/44/84/80/1164448480.db2.gz GNBDPRHXEDCHOD-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001406105912 1164448486 /nfs/dbraw/zinc/44/84/86/1164448486.db2.gz GNBDPRHXEDCHOD-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001406105912 1164448491 /nfs/dbraw/zinc/44/84/91/1164448491.db2.gz GNBDPRHXEDCHOD-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001406105912 1164448494 /nfs/dbraw/zinc/44/84/94/1164448494.db2.gz GNBDPRHXEDCHOD-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001406105906 1164448667 /nfs/dbraw/zinc/44/86/67/1164448667.db2.gz GNBDPRHXEDCHOD-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001406105906 1164448670 /nfs/dbraw/zinc/44/86/70/1164448670.db2.gz GNBDPRHXEDCHOD-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001406105906 1164448675 /nfs/dbraw/zinc/44/86/75/1164448675.db2.gz GNBDPRHXEDCHOD-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001406105906 1164448679 /nfs/dbraw/zinc/44/86/79/1164448679.db2.gz GNBDPRHXEDCHOD-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001441034023 1181831766 /nfs/dbraw/zinc/83/17/66/1181831766.db2.gz KBCUHHBLNZLRJY-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001441034023 1181831771 /nfs/dbraw/zinc/83/17/71/1181831771.db2.gz KBCUHHBLNZLRJY-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001441034023 1181831774 /nfs/dbraw/zinc/83/17/74/1181831774.db2.gz KBCUHHBLNZLRJY-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001332872950 1149911341 /nfs/dbraw/zinc/91/13/41/1149911341.db2.gz DEZNGPVRQGYCNG-ZFWWWQNUSA-N 2 2 306.454 2.285 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC001332872950 1149911353 /nfs/dbraw/zinc/91/13/53/1149911353.db2.gz DEZNGPVRQGYCNG-ZFWWWQNUSA-N 2 2 306.454 2.285 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748121 782915056 /nfs/dbraw/zinc/91/50/56/782915056.db2.gz KRZQGYOKRSZNBV-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748121 782915060 /nfs/dbraw/zinc/91/50/60/782915060.db2.gz KRZQGYOKRSZNBV-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323972 783087875 /nfs/dbraw/zinc/08/78/75/783087875.db2.gz DISHXWSATCIFPS-HNNXBMFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323972 783087884 /nfs/dbraw/zinc/08/78/84/783087884.db2.gz DISHXWSATCIFPS-HNNXBMFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021154 790393641 /nfs/dbraw/zinc/39/36/41/790393641.db2.gz DSNYQCSEUNAYAL-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021154 790393654 /nfs/dbraw/zinc/39/36/54/790393654.db2.gz DSNYQCSEUNAYAL-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206968771 776841988 /nfs/dbraw/zinc/84/19/88/776841988.db2.gz YAYWJBRENIKTDW-UHFFFAOYSA-N 2 2 324.856 2.244 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124684 779715672 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RJTUYQQUZJWLLK-KLHDSHLOSA-N 2 2 316.449 2.496 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885975 803172221 /nfs/dbraw/zinc/17/22/21/803172221.db2.gz RJTUYQQUZJWLLK-KLHDSHLOSA-N 2 2 316.449 2.496 20 30 DEEDLP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001331203072 1149396107 /nfs/dbraw/zinc/39/61/07/1149396107.db2.gz RBVYRUNAYMIFJN-DOTOQJQBSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001368997514 1148822743 /nfs/dbraw/zinc/82/27/43/1148822743.db2.gz GBUQDKNAYUZPDC-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001368997514 1148822744 /nfs/dbraw/zinc/82/27/44/1148822744.db2.gz GBUQDKNAYUZPDC-OAHLLOKOSA-N 2 2 315.889 2.442 20 30 DEEDLP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500356619 1058722578 /nfs/dbraw/zinc/72/25/78/1058722578.db2.gz VIACHPMGHXTGSM-GOSISDBHSA-N 2 2 317.433 2.037 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001501061952 1059250855 /nfs/dbraw/zinc/25/08/55/1059250855.db2.gz FENHJRCASBNWMD-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001501083996 1059270289 /nfs/dbraw/zinc/27/02/89/1059270289.db2.gz OITILLNSZWSOGF-CABCVRRESA-N 2 2 318.465 2.480 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001501581301 1059557373 /nfs/dbraw/zinc/55/73/73/1059557373.db2.gz DFQGUOZNSFIGDZ-OAHLLOKOSA-N 2 2 317.433 2.037 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001501701124 1059652220 /nfs/dbraw/zinc/65/22/20/1059652220.db2.gz RRIWSKXGELCRFV-WKILWMFISA-N 2 2 324.428 2.236 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001474552456 1060894166 /nfs/dbraw/zinc/89/41/66/1060894166.db2.gz KJSVZKDSAIEVPG-UYAOXDASSA-N 2 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001474552456 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VGDJVWHADKIHTR-YUELXQCFSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998156 1089285592 /nfs/dbraw/zinc/28/55/92/1089285592.db2.gz VGDJVWHADKIHTR-YUELXQCFSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998156 1089285608 /nfs/dbraw/zinc/28/56/08/1089285608.db2.gz VGDJVWHADKIHTR-YUELXQCFSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553405 1090326567 /nfs/dbraw/zinc/32/65/67/1090326567.db2.gz JDDOKBZMYKZBRL-SJLPKXTDSA-N 2 2 322.412 2.205 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553405 1090326570 /nfs/dbraw/zinc/32/65/70/1090326570.db2.gz JDDOKBZMYKZBRL-SJLPKXTDSA-N 2 2 322.412 2.205 20 30 DEEDLP C=CCCC[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273493397 1091880981 /nfs/dbraw/zinc/88/09/81/1091880981.db2.gz YBELELMPIHUNEY-INIZCTEOSA-N 2 2 316.449 2.105 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001275815820 1092173856 /nfs/dbraw/zinc/17/38/56/1092173856.db2.gz ISNGZYMTYOJDQZ-DOTOQJQBSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000949522896 1092173844 /nfs/dbraw/zinc/17/38/44/1092173844.db2.gz AZUKQHNYMJDKJL-UHFFFAOYSA-N 2 2 310.401 2.206 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001495370947 1093380867 /nfs/dbraw/zinc/38/08/67/1093380867.db2.gz NJFWYPDSPIOVMX-HNNXBMFYSA-N 2 2 324.856 2.244 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318849337 1140437378 /nfs/dbraw/zinc/43/73/78/1140437378.db2.gz KCIMYCAQLGZGMM-AWEZNQCLSA-N 2 2 304.438 2.092 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319189280 1140522141 /nfs/dbraw/zinc/52/21/41/1140522141.db2.gz MMNCTURLDRIMAI-HNNXBMFYSA-N 2 2 318.465 2.070 20 30 DEEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405893 1140632299 /nfs/dbraw/zinc/63/22/99/1140632299.db2.gz QHBJQBSEAZPIAC-RDJZCZTQSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405893 1140632325 /nfs/dbraw/zinc/63/23/25/1140632325.db2.gz QHBJQBSEAZPIAC-RDJZCZTQSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001319887553 1140800129 /nfs/dbraw/zinc/80/01/29/1140800129.db2.gz FCPRJSSZWUBAJR-UHFFFAOYSA-N 2 2 318.465 2.099 20 30 DEEDLP C=C(C)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001319887553 1140800130 /nfs/dbraw/zinc/80/01/30/1140800130.db2.gz FCPRJSSZWUBAJR-UHFFFAOYSA-N 2 2 318.465 2.099 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001245973317 1140839786 /nfs/dbraw/zinc/83/97/86/1140839786.db2.gz JXCJJIKSQHVNQQ-DLBZAZTESA-N 2 2 300.487 2.456 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001245988961 1140841904 /nfs/dbraw/zinc/84/19/04/1140841904.db2.gz JYBJFYBLLWSFFF-IXDOHACOSA-N 2 2 300.487 2.191 20 30 DEEDLP Cc1cc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)ccc1C#N ZINC001247867716 1141579575 /nfs/dbraw/zinc/57/95/75/1141579575.db2.gz JDHIDGNUPRVUHU-HNNXBMFYSA-N 2 2 323.400 2.463 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322582719 1141637259 /nfs/dbraw/zinc/63/72/59/1141637259.db2.gz VLEWFWFTFBSLNC-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C[C@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001253577870 1142882120 /nfs/dbraw/zinc/88/21/20/1142882120.db2.gz ZUJATYPWKNNRQM-INIZCTEOSA-N 2 2 319.449 2.269 20 30 DEEDLP C=C[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001253577870 1142882122 /nfs/dbraw/zinc/88/21/22/1142882122.db2.gz ZUJATYPWKNNRQM-INIZCTEOSA-N 2 2 319.449 2.269 20 30 DEEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256077711 1143828555 /nfs/dbraw/zinc/82/85/55/1143828555.db2.gz HRHGFBFRFLNCGI-RTBURBONSA-N 2 2 320.477 2.439 20 30 DEEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256077711 1143828557 /nfs/dbraw/zinc/82/85/57/1143828557.db2.gz HRHGFBFRFLNCGI-RTBURBONSA-N 2 2 320.477 2.439 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258730217 1144036557 /nfs/dbraw/zinc/03/65/57/1144036557.db2.gz BYSPDEVAKNWOGG-MRXNPFEDSA-N 2 2 317.481 2.477 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258730217 1144036561 /nfs/dbraw/zinc/03/65/61/1144036561.db2.gz BYSPDEVAKNWOGG-MRXNPFEDSA-N 2 2 317.481 2.477 20 30 DEEDLP CC#CC[NH2+]C1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001281489706 1144892810 /nfs/dbraw/zinc/89/28/10/1144892810.db2.gz PLAGCDLZMVDUIP-UHFFFAOYSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001282559043 1145087275 /nfs/dbraw/zinc/08/72/75/1145087275.db2.gz WQLVDMLWNAKXDU-INIZCTEOSA-N 2 2 318.465 2.023 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001366530439 1147333618 /nfs/dbraw/zinc/33/36/18/1147333618.db2.gz SJBWBUZATVMEFL-UHFFFAOYSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001366530439 1147333622 /nfs/dbraw/zinc/33/36/22/1147333622.db2.gz SJBWBUZATVMEFL-UHFFFAOYSA-N 2 2 301.862 2.051 20 30 DEEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317038862 1147651385 /nfs/dbraw/zinc/65/13/85/1147651385.db2.gz HKWBFEZQAYSHSC-AWEZNQCLSA-N 2 2 304.438 2.044 20 30 DEEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317038862 1147651386 /nfs/dbraw/zinc/65/13/86/1147651386.db2.gz HKWBFEZQAYSHSC-AWEZNQCLSA-N 2 2 304.438 2.044 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001367265258 1147671483 /nfs/dbraw/zinc/67/14/83/1147671483.db2.gz XOZVQJIXXVFPNN-SNVBAGLBSA-N 2 2 306.797 2.271 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317367579 1147697124 /nfs/dbraw/zinc/69/71/24/1147697124.db2.gz XYZMDZRRFTXAFX-JKSUJKDBSA-N 2 2 304.438 2.256 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326286004 1148069120 /nfs/dbraw/zinc/06/91/20/1148069120.db2.gz HTRJEOIBWZBOLW-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326286004 1148069127 /nfs/dbraw/zinc/06/91/27/1148069127.db2.gz HTRJEOIBWZBOLW-HNNXBMFYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCCC[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181087593 356072430 /nfs/dbraw/zinc/07/24/30/356072430.db2.gz HDONASJISFGSKZ-INIZCTEOSA-N 2 2 324.513 2.399 20 30 DEEDLP C=CCCC[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181087593 356072436 /nfs/dbraw/zinc/07/24/36/356072436.db2.gz HDONASJISFGSKZ-INIZCTEOSA-N 2 2 324.513 2.399 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181087611 356072754 /nfs/dbraw/zinc/07/27/54/356072754.db2.gz HDONASJISFGSKZ-MRXNPFEDSA-N 2 2 324.513 2.399 20 30 DEEDLP C=CCCC[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181087611 356072760 /nfs/dbraw/zinc/07/27/60/356072760.db2.gz HDONASJISFGSKZ-MRXNPFEDSA-N 2 2 324.513 2.399 20 30 DEEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000591724819 357754501 /nfs/dbraw/zinc/75/45/01/357754501.db2.gz FZHSFOQQECMGRJ-IBGZPJMESA-N 2 2 309.413 2.141 20 30 DEEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000591724819 357754502 /nfs/dbraw/zinc/75/45/02/357754502.db2.gz FZHSFOQQECMGRJ-IBGZPJMESA-N 2 2 309.413 2.141 20 30 DEEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000594498582 358284531 /nfs/dbraw/zinc/28/45/31/358284531.db2.gz SIIXMHHXNIYMAB-GOSISDBHSA-N 2 2 311.429 2.390 20 30 DEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000595100818 358390013 /nfs/dbraw/zinc/39/00/13/358390013.db2.gz JEEZXKUJENTHPG-HKUYNNGSSA-N 2 2 311.429 2.388 20 30 DEEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000595297445 358415625 /nfs/dbraw/zinc/41/56/25/358415625.db2.gz ULYWTUYMRNXCCF-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000595297445 358415627 /nfs/dbraw/zinc/41/56/27/358415627.db2.gz ULYWTUYMRNXCCF-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000595297445 358415631 /nfs/dbraw/zinc/41/56/31/358415631.db2.gz ULYWTUYMRNXCCF-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000595297445 358415635 /nfs/dbraw/zinc/41/56/35/358415635.db2.gz ULYWTUYMRNXCCF-GOSISDBHSA-N 2 2 301.434 2.224 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H](O)C3)CC2)cc1 ZINC000189279695 200374734 /nfs/dbraw/zinc/37/47/34/200374734.db2.gz YNIFWDYBXAFFDI-MJGOQNOKSA-N 2 2 313.445 2.273 20 30 DEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000602565097 360435361 /nfs/dbraw/zinc/43/53/61/360435361.db2.gz PNYBLQPTGSFAIX-GDBMZVCRSA-N 2 2 311.495 2.112 20 30 DEEDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)c(F)c1 ZINC000271967822 209348313 /nfs/dbraw/zinc/34/83/13/209348313.db2.gz VXCUAFMPYSGGCV-CYBMUJFWSA-N 2 2 305.397 2.195 20 30 DEEDLP CC[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271855729 209271264 /nfs/dbraw/zinc/27/12/64/209271264.db2.gz JFUYSBLNGIQYCW-GOSISDBHSA-N 2 2 301.434 2.273 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000104717991 194030343 /nfs/dbraw/zinc/03/03/43/194030343.db2.gz WJNRTJKAXNECMZ-UHFFFAOYSA-N 2 2 308.385 2.284 20 30 DEEDLP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCc2sccc2C1 ZINC000170906298 533364739 /nfs/dbraw/zinc/36/47/39/533364739.db2.gz HZPPFGZWOYNAEW-LBPRGKRZSA-N 2 2 315.446 2.317 20 30 DEEDLP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCc2sccc2C1 ZINC000170906298 533364745 /nfs/dbraw/zinc/36/47/45/533364745.db2.gz HZPPFGZWOYNAEW-LBPRGKRZSA-N 2 2 315.446 2.317 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370696929 148046276 /nfs/dbraw/zinc/04/62/76/148046276.db2.gz IQTQPDZIWZRMJU-RHSMWYFYSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370696929 148046278 /nfs/dbraw/zinc/04/62/78/148046278.db2.gz IQTQPDZIWZRMJU-RHSMWYFYSA-N 2 2 318.490 2.078 20 30 DEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000130993691 401842174 /nfs/dbraw/zinc/84/21/74/401842174.db2.gz KZZVKSYVRGJIFO-SFHVURJKSA-N 2 2 316.445 2.406 20 30 DEEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000130993691 401842177 /nfs/dbraw/zinc/84/21/77/401842177.db2.gz KZZVKSYVRGJIFO-SFHVURJKSA-N 2 2 316.445 2.406 20 30 DEEDLP C=CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000121169291 402018279 /nfs/dbraw/zinc/01/82/79/402018279.db2.gz AJCRTCNEFIVIRF-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000121169291 402018280 /nfs/dbraw/zinc/01/82/80/402018280.db2.gz AJCRTCNEFIVIRF-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000121169291 402018283 /nfs/dbraw/zinc/01/82/83/402018283.db2.gz AJCRTCNEFIVIRF-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000177913831 402443640 /nfs/dbraw/zinc/44/36/40/402443640.db2.gz VSCZALXIGAXEHY-AWEZNQCLSA-N 2 2 322.474 2.391 20 30 DEEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCCC1 ZINC000171408287 402584765 /nfs/dbraw/zinc/58/47/65/402584765.db2.gz UCTAQYZPNSQEKS-HNNXBMFYSA-N 2 2 304.438 2.478 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000251571698 402648242 /nfs/dbraw/zinc/64/82/42/402648242.db2.gz UZVKZKCJQKGZKL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000251571698 402648244 /nfs/dbraw/zinc/64/82/44/402648244.db2.gz UZVKZKCJQKGZKL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000251571698 402648245 /nfs/dbraw/zinc/64/82/45/402648245.db2.gz UZVKZKCJQKGZKL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000251571698 402648247 /nfs/dbraw/zinc/64/82/47/402648247.db2.gz UZVKZKCJQKGZKL-ZBFHGGJFSA-N 2 2 314.433 2.159 20 30 DEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262837796 402735111 /nfs/dbraw/zinc/73/51/11/402735111.db2.gz SYQCYXUFANVZFY-TZMCWYRMSA-N 2 2 306.479 2.070 20 30 DEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262837796 402735112 /nfs/dbraw/zinc/73/51/12/402735112.db2.gz SYQCYXUFANVZFY-TZMCWYRMSA-N 2 2 306.479 2.070 20 30 DEEDLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CCO1 ZINC000342691721 403310442 /nfs/dbraw/zinc/31/04/42/403310442.db2.gz JBUBLBHVNORBRV-INIZCTEOSA-N 2 2 313.445 2.438 20 30 DEEDLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CCO1 ZINC000342691721 403310443 /nfs/dbraw/zinc/31/04/43/403310443.db2.gz JBUBLBHVNORBRV-INIZCTEOSA-N 2 2 313.445 2.438 20 30 DEEDLP Cc1[nH+]ccn1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344181359 403961644 /nfs/dbraw/zinc/96/16/44/403961644.db2.gz ZDVFHVBMCBMOBE-UHFFFAOYSA-N 3 2 323.444 2.317 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(C#N)cs1 ZINC000355207426 404284314 /nfs/dbraw/zinc/28/43/14/404284314.db2.gz DVQIPLRDUPQPMD-FVQBIDKESA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(C#N)cs1 ZINC000355207426 404284318 /nfs/dbraw/zinc/28/43/18/404284318.db2.gz DVQIPLRDUPQPMD-FVQBIDKESA-N 2 2 305.447 2.303 20 30 DEEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329799150 404454093 /nfs/dbraw/zinc/45/40/93/404454093.db2.gz IBCNAGKUWIQFSJ-HIFRSBDPSA-N 2 2 319.453 2.232 20 30 DEEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329799150 404454101 /nfs/dbraw/zinc/45/41/01/404454101.db2.gz IBCNAGKUWIQFSJ-HIFRSBDPSA-N 2 2 319.453 2.232 20 30 DEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351389320 404572911 /nfs/dbraw/zinc/57/29/11/404572911.db2.gz UGCABXANHMIGBP-SFHVURJKSA-N 2 2 301.434 2.225 20 30 DEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351389320 404572917 /nfs/dbraw/zinc/57/29/17/404572917.db2.gz UGCABXANHMIGBP-SFHVURJKSA-N 2 2 301.434 2.225 20 30 DEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351389320 404572925 /nfs/dbraw/zinc/57/29/25/404572925.db2.gz UGCABXANHMIGBP-SFHVURJKSA-N 2 2 301.434 2.225 20 30 DEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351389320 404572929 /nfs/dbraw/zinc/57/29/29/404572929.db2.gz UGCABXANHMIGBP-SFHVURJKSA-N 2 2 301.434 2.225 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000353497002 404848063 /nfs/dbraw/zinc/84/80/63/404848063.db2.gz NIUSHCIDJAGXDP-QGZVFWFLSA-N 2 2 310.445 2.353 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000353497002 404848066 /nfs/dbraw/zinc/84/80/66/404848066.db2.gz NIUSHCIDJAGXDP-QGZVFWFLSA-N 2 2 310.445 2.353 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)s1 ZINC000378375888 404947882 /nfs/dbraw/zinc/94/78/82/404947882.db2.gz ZNZWQMLEGLMSEK-UHOFOFEASA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)s1 ZINC000378375888 404947885 /nfs/dbraw/zinc/94/78/85/404947885.db2.gz ZNZWQMLEGLMSEK-UHOFOFEASA-N 2 2 305.447 2.303 20 30 DEEDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1C#N ZINC000440803218 405327417 /nfs/dbraw/zinc/32/74/17/405327417.db2.gz CBUBYWHSEKQMJJ-QGZVFWFLSA-N 2 2 317.433 2.013 20 30 DEEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1C#N ZINC000440803218 405327421 /nfs/dbraw/zinc/32/74/21/405327421.db2.gz CBUBYWHSEKQMJJ-QGZVFWFLSA-N 2 2 317.433 2.013 20 30 DEEDLP C=CCC(C)(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194502 406050413 /nfs/dbraw/zinc/05/04/13/406050413.db2.gz UGJOPWDMMMXLLT-UHFFFAOYSA-N 2 2 302.422 2.374 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000519282719 406188521 /nfs/dbraw/zinc/18/85/21/406188521.db2.gz MIVXTGFDNPINCA-UHFFFAOYSA-N 2 2 319.453 2.003 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000491209901 406544627 /nfs/dbraw/zinc/54/46/27/406544627.db2.gz NKYCHSGALXSEDB-IBGZPJMESA-N 2 2 308.429 2.305 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000491209901 406544630 /nfs/dbraw/zinc/54/46/30/406544630.db2.gz NKYCHSGALXSEDB-IBGZPJMESA-N 2 2 308.429 2.305 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527658288 406707454 /nfs/dbraw/zinc/70/74/54/406707454.db2.gz YCQPAQIMYPFGNN-UHFFFAOYSA-N 2 2 317.462 2.284 20 30 DEEDLP [NH2+]=C(NCCn1cc[nH+]c1)NCc1cccc(C(F)(F)F)c1 ZINC000266970486 225341328 /nfs/dbraw/zinc/34/13/28/225341328.db2.gz DYNGWYJROCMXMQ-UHFFFAOYSA-N 2 2 311.311 2.006 20 30 DEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000328778693 290003919 /nfs/dbraw/zinc/00/39/19/290003919.db2.gz LUERZRUXYZONJW-IRXDYDNUSA-N 2 2 304.438 2.053 20 30 DEEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000328778693 290003921 /nfs/dbraw/zinc/00/39/21/290003921.db2.gz LUERZRUXYZONJW-IRXDYDNUSA-N 2 2 304.438 2.053 20 30 DEEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000328778693 290003923 /nfs/dbraw/zinc/00/39/23/290003923.db2.gz LUERZRUXYZONJW-IRXDYDNUSA-N 2 2 304.438 2.053 20 30 DEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000328778693 290003925 /nfs/dbraw/zinc/00/39/25/290003925.db2.gz LUERZRUXYZONJW-IRXDYDNUSA-N 2 2 304.438 2.053 20 30 DEEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)N1 ZINC000262474338 300305754 /nfs/dbraw/zinc/30/57/54/300305754.db2.gz BSLJIWKANZBKJT-GWCFXTLKSA-N 2 2 314.355 2.245 20 30 DEEDLP C=CCC1(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721174 337125050 /nfs/dbraw/zinc/12/50/50/337125050.db2.gz WJFDMUQLUFAFQI-BBWFWOEESA-N 2 2 310.482 2.183 20 30 DEEDLP C=CCC1(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721174 337125051 /nfs/dbraw/zinc/12/50/51/337125051.db2.gz WJFDMUQLUFAFQI-BBWFWOEESA-N 2 2 310.482 2.183 20 30 DEEDLP COc1cccc([C@@H](CNC(=[NH2+])NC2CCCC2)[NH+](C)C)c1 ZINC000264137374 533715927 /nfs/dbraw/zinc/71/59/27/533715927.db2.gz VLLHPCVKVITUHR-MRXNPFEDSA-N 2 2 304.438 2.145 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CC[C@H](C#N)C3)c2cc1C ZINC000565298990 341523029 /nfs/dbraw/zinc/52/30/29/341523029.db2.gz CXHKTGFHQNLMAQ-XHSDSOJGSA-N 2 2 312.417 2.296 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000246259770 526538467 /nfs/dbraw/zinc/53/84/67/526538467.db2.gz UQMOZGWYMRXPTK-SJORKVTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000246259770 526538474 /nfs/dbraw/zinc/53/84/74/526538474.db2.gz UQMOZGWYMRXPTK-SJORKVTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000246259770 526538478 /nfs/dbraw/zinc/53/84/78/526538478.db2.gz UQMOZGWYMRXPTK-SJORKVTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000246259770 526538483 /nfs/dbraw/zinc/53/84/83/526538483.db2.gz UQMOZGWYMRXPTK-SJORKVTESA-N 2 2 309.498 2.463 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000294869019 526827762 /nfs/dbraw/zinc/82/77/62/526827762.db2.gz CONRVJMEGXCPIX-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000294869019 526827770 /nfs/dbraw/zinc/82/77/70/526827770.db2.gz CONRVJMEGXCPIX-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000294869019 526827776 /nfs/dbraw/zinc/82/77/76/526827776.db2.gz CONRVJMEGXCPIX-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000294869019 526827778 /nfs/dbraw/zinc/82/77/78/526827778.db2.gz CONRVJMEGXCPIX-AZUAARDMSA-N 3 2 313.489 2.442 20 30 DEEDLP C=C(Cl)CNC(=[NH+]CC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261967905 526885110 /nfs/dbraw/zinc/88/51/10/526885110.db2.gz 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C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001088391799 780064131 /nfs/dbraw/zinc/06/41/31/780064131.db2.gz UGBWPJRTRYOPDR-HZPDHXFCSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969037986 784699161 /nfs/dbraw/zinc/69/91/61/784699161.db2.gz QVOGHBVHDTXNBF-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007595218 784957159 /nfs/dbraw/zinc/95/71/59/784957159.db2.gz KRQXPAWSYIEVGB-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007595218 784957163 /nfs/dbraw/zinc/95/71/63/784957163.db2.gz KRQXPAWSYIEVGB-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108807477 785551149 /nfs/dbraw/zinc/55/11/49/785551149.db2.gz GBJFZTCDMOXOAM-XHSDSOJGSA-N 2 2 316.449 2.196 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626302 787262716 /nfs/dbraw/zinc/26/27/16/787262716.db2.gz GKVJRMBTDOFKDF-ZWKOTPCHSA-N 2 2 324.428 2.043 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626302 787262720 /nfs/dbraw/zinc/26/27/20/787262720.db2.gz GKVJRMBTDOFKDF-ZWKOTPCHSA-N 2 2 324.428 2.043 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024494 787885663 /nfs/dbraw/zinc/88/56/63/787885663.db2.gz GXTLNGUIANTYSR-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024494 787885676 /nfs/dbraw/zinc/88/56/76/787885676.db2.gz GXTLNGUIANTYSR-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097075947 787966791 /nfs/dbraw/zinc/96/67/91/787966791.db2.gz FYZDABHYPPKVLF-ZACQAIPSSA-N 2 2 322.412 2.001 20 30 DEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097075947 787966794 /nfs/dbraw/zinc/96/67/94/787966794.db2.gz FYZDABHYPPKVLF-ZACQAIPSSA-N 2 2 322.412 2.001 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264892 787995920 /nfs/dbraw/zinc/99/59/20/787995920.db2.gz DKPNIXBFAMGOAO-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264892 787995924 /nfs/dbraw/zinc/99/59/24/787995924.db2.gz DKPNIXBFAMGOAO-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132455987 788078330 /nfs/dbraw/zinc/07/83/30/788078330.db2.gz BXSPOLHMJNAGJU-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132455987 788078333 /nfs/dbraw/zinc/07/83/33/788078333.db2.gz BXSPOLHMJNAGJU-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369873 788900528 /nfs/dbraw/zinc/90/05/28/788900528.db2.gz UAFANSOBLAHLAT-ZIAGYGMSSA-N 2 2 312.417 2.153 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057462 789178866 /nfs/dbraw/zinc/17/88/66/789178866.db2.gz VBHARUCRAIVGPJ-CABCVRRESA-N 2 2 306.454 2.192 20 30 DEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841369 789521275 /nfs/dbraw/zinc/52/12/75/789521275.db2.gz ZOAOQEULTZOENL-HOTGVXAUSA-N 2 2 324.428 2.382 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958324 792175695 /nfs/dbraw/zinc/17/56/95/792175695.db2.gz USRAWUHLGYUUAW-RBSFLKMASA-N 2 2 316.449 2.090 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958324 792175699 /nfs/dbraw/zinc/17/56/99/792175699.db2.gz USRAWUHLGYUUAW-RBSFLKMASA-N 2 2 316.449 2.090 20 30 DEEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359539 792184471 /nfs/dbraw/zinc/18/44/71/792184471.db2.gz QQCMPNCRVRWVGO-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359539 792184478 /nfs/dbraw/zinc/18/44/78/792184478.db2.gz QQCMPNCRVRWVGO-MRXNPFEDSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172133678 793325348 /nfs/dbraw/zinc/32/53/48/793325348.db2.gz UKADXNZTEIDZLB-WCXIOVBPSA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172133678 793325361 /nfs/dbraw/zinc/32/53/61/793325361.db2.gz UKADXNZTEIDZLB-WCXIOVBPSA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133678 793325369 /nfs/dbraw/zinc/32/53/69/793325369.db2.gz UKADXNZTEIDZLB-WCXIOVBPSA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133678 793325378 /nfs/dbraw/zinc/32/53/78/793325378.db2.gz UKADXNZTEIDZLB-WCXIOVBPSA-N 2 2 321.465 2.378 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531991 793643347 /nfs/dbraw/zinc/64/33/47/793643347.db2.gz OVIZSNCUCGAIFI-IJEWVQPXSA-N 2 2 318.465 2.299 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531991 793643352 /nfs/dbraw/zinc/64/33/52/793643352.db2.gz OVIZSNCUCGAIFI-IJEWVQPXSA-N 2 2 318.465 2.299 20 30 DEEDLP COc1cc[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001176120477 794363976 /nfs/dbraw/zinc/36/39/76/794363976.db2.gz BOODKTHJZNLFIR-UHFFFAOYSA-N 2 2 323.400 2.457 20 30 DEEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176175269 794367446 /nfs/dbraw/zinc/36/74/46/794367446.db2.gz NPCMXDDZJJORKD-OAHLLOKOSA-N 2 2 306.454 2.193 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063718 794572872 /nfs/dbraw/zinc/57/28/72/794572872.db2.gz BSXNFARGTIZRHG-WBVHZDCISA-N 2 2 318.465 2.135 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509883 794803839 /nfs/dbraw/zinc/80/38/39/794803839.db2.gz FDCPZUHQDYCUES-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP CC(C)(C)NC(NCCCCn1cc[nH+]c1)=[NH+]C[C@H]1CCOC1 ZINC001120462300 795465719 /nfs/dbraw/zinc/46/57/19/795465719.db2.gz RCZDUOCZEDVQAS-OAHLLOKOSA-N 2 2 321.469 2.034 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184799771 796127417 /nfs/dbraw/zinc/12/74/17/796127417.db2.gz QHLSDPCIIYGSHI-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP C#CCOc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001138558810 796234987 /nfs/dbraw/zinc/23/49/87/796234987.db2.gz JMYJLNAXQPLKGN-UHFFFAOYSA-N 2 2 316.445 2.241 20 30 DEEDLP C#CCOc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001138558810 796234990 /nfs/dbraw/zinc/23/49/90/796234990.db2.gz JMYJLNAXQPLKGN-UHFFFAOYSA-N 2 2 316.445 2.241 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185596248 796292060 /nfs/dbraw/zinc/29/20/60/796292060.db2.gz ZMSZKGQNJRJSHV-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788821 796315716 /nfs/dbraw/zinc/31/57/16/796315716.db2.gz QDOLEYOUQUDJAV-DLBZAZTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215522 796684574 /nfs/dbraw/zinc/68/45/74/796684574.db2.gz VLRBEMPOYLADOP-MRXNPFEDSA-N 2 2 318.465 2.288 20 30 DEEDLP CSc1nc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1C#N ZINC001141944033 796700463 /nfs/dbraw/zinc/70/04/63/796700463.db2.gz UWEIDHRAXNRODM-UHFFFAOYSA-N 2 2 302.447 2.203 20 30 DEEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930555 797425340 /nfs/dbraw/zinc/42/53/40/797425340.db2.gz POOCDYOBFUNTFJ-SJORKVTESA-N 2 2 318.465 2.320 20 30 DEEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930555 797425344 /nfs/dbraw/zinc/42/53/44/797425344.db2.gz POOCDYOBFUNTFJ-SJORKVTESA-N 2 2 318.465 2.320 20 30 DEEDLP Cc1c[nH+]c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c(/C=N/O)c1 ZINC001155384837 797745246 /nfs/dbraw/zinc/74/52/46/797745246.db2.gz RCJIDXXMMNHGOW-SBUZPKSBSA-N 2 2 318.421 2.159 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533979 798422988 /nfs/dbraw/zinc/42/29/88/798422988.db2.gz PCGMNCDUHZOMNY-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533979 798422990 /nfs/dbraw/zinc/42/29/90/798422990.db2.gz PCGMNCDUHZOMNY-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158616143 798437028 /nfs/dbraw/zinc/43/70/28/798437028.db2.gz DJBHCXWZPGTCIY-OAHLLOKOSA-N 2 2 315.889 2.394 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158616143 798437033 /nfs/dbraw/zinc/43/70/33/798437033.db2.gz DJBHCXWZPGTCIY-OAHLLOKOSA-N 2 2 315.889 2.394 20 30 DEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158795019 798470743 /nfs/dbraw/zinc/47/07/43/798470743.db2.gz XDXPYIPZJFYCAY-OAHLLOKOSA-N 2 2 304.438 2.150 20 30 DEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158795019 798470745 /nfs/dbraw/zinc/47/07/45/798470745.db2.gz XDXPYIPZJFYCAY-OAHLLOKOSA-N 2 2 304.438 2.150 20 30 DEEDLP N#CC1(c2cc[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c2)CC1 ZINC001163645560 799393472 /nfs/dbraw/zinc/39/34/72/799393472.db2.gz XZBIPIJTLKDCII-MAUKXSAKSA-N 2 2 312.417 2.350 20 30 DEEDLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164661312 799639593 /nfs/dbraw/zinc/63/95/93/799639593.db2.gz LDNAYDHLOCHZPV-SJORKVTESA-N 2 2 313.449 2.320 20 30 DEEDLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]C[C@H]2C#N)nc1 ZINC001164661312 799639596 /nfs/dbraw/zinc/63/95/96/799639596.db2.gz LDNAYDHLOCHZPV-SJORKVTESA-N 2 2 313.449 2.320 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095606940 799669854 /nfs/dbraw/zinc/66/98/54/799669854.db2.gz JERXJSIMERMRPJ-PMPSAXMXSA-N 2 2 316.449 2.224 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095606940 799669856 /nfs/dbraw/zinc/66/98/56/799669856.db2.gz JERXJSIMERMRPJ-PMPSAXMXSA-N 2 2 316.449 2.224 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166407669 799867649 /nfs/dbraw/zinc/86/76/49/799867649.db2.gz APRMKCKEEUKLHD-UONOGXRCSA-N 2 2 304.438 2.280 20 30 DEEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000933613289 800138374 /nfs/dbraw/zinc/13/83/74/800138374.db2.gz XXDWCRHTSROAEM-LJQANCHMSA-N 2 2 313.445 2.193 20 30 DEEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000933613289 800138379 /nfs/dbraw/zinc/13/83/79/800138379.db2.gz XXDWCRHTSROAEM-LJQANCHMSA-N 2 2 313.445 2.193 20 30 DEEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971015 800643868 /nfs/dbraw/zinc/64/38/68/800643868.db2.gz VQWIGFUTMGXUPI-UHFFFAOYSA-N 2 2 318.465 2.458 20 30 DEEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386893 800971942 /nfs/dbraw/zinc/97/19/42/800971942.db2.gz KDHREDPGXCZVBY-JKSUJKDBSA-N 2 2 304.438 2.237 20 30 DEEDLP C#CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208591806 801022659 /nfs/dbraw/zinc/02/26/59/801022659.db2.gz OORBEHUPUZZRDZ-HXUWFJFHSA-N 2 2 311.473 2.292 20 30 DEEDLP C#CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208591806 801022665 /nfs/dbraw/zinc/02/26/65/801022665.db2.gz OORBEHUPUZZRDZ-HXUWFJFHSA-N 2 2 311.473 2.292 20 30 DEEDLP N#CCCN1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949652 801101135 /nfs/dbraw/zinc/10/11/35/801101135.db2.gz MVQSFGQSYLLBBE-LJQANCHMSA-N 2 2 312.461 2.040 20 30 DEEDLP N#CCCN1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949652 801101137 /nfs/dbraw/zinc/10/11/37/801101137.db2.gz MVQSFGQSYLLBBE-LJQANCHMSA-N 2 2 312.461 2.040 20 30 DEEDLP N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c[nH+]ccc3N)C2)cc1 ZINC001209733381 801267352 /nfs/dbraw/zinc/26/73/52/801267352.db2.gz VEPDHVMWSMDRJY-QGZVFWFLSA-N 2 2 308.385 2.409 20 30 DEEDLP N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c[nH+]ccc3N)C2)cc1 ZINC001209733381 801267355 /nfs/dbraw/zinc/26/73/55/801267355.db2.gz VEPDHVMWSMDRJY-QGZVFWFLSA-N 2 2 308.385 2.409 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812084 801761034 /nfs/dbraw/zinc/76/10/34/801761034.db2.gz RFCMVIGPRNSBIL-IIAWOOMASA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812084 801761039 /nfs/dbraw/zinc/76/10/39/801761039.db2.gz RFCMVIGPRNSBIL-IIAWOOMASA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224797362 802904869 /nfs/dbraw/zinc/90/48/69/802904869.db2.gz ZJAIOUNNHKHZRH-HNNXBMFYSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224797362 802904875 /nfs/dbraw/zinc/90/48/75/802904875.db2.gz ZJAIOUNNHKHZRH-HNNXBMFYSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225286240 802951043 /nfs/dbraw/zinc/95/10/43/802951043.db2.gz SMUXWPRKPDSOOJ-UHFFFAOYSA-N 2 2 304.438 2.055 20 30 DEEDLP C=CCCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225653646 802996967 /nfs/dbraw/zinc/99/69/67/802996967.db2.gz ZMXISOWKQHTPDJ-UHFFFAOYSA-N 2 2 318.465 2.458 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001328112625 1148723551 /nfs/dbraw/zinc/72/35/51/1148723551.db2.gz FOPQQCXZFPOVOK-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001328112625 1148723558 /nfs/dbraw/zinc/72/35/58/1148723558.db2.gz FOPQQCXZFPOVOK-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420637326 1169844818 /nfs/dbraw/zinc/84/48/18/1169844818.db2.gz UMFMDPVPQJJKKA-CABCVRRESA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420637326 1169844821 /nfs/dbraw/zinc/84/48/21/1169844821.db2.gz UMFMDPVPQJJKKA-CABCVRRESA-N 2 2 315.889 2.440 20 30 DEEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001328478285 1148801047 /nfs/dbraw/zinc/80/10/47/1148801047.db2.gz PABBVAPGAYTSKA-MRXNPFEDSA-N 2 2 314.433 2.349 20 30 DEEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001328478285 1148801048 /nfs/dbraw/zinc/80/10/48/1148801048.db2.gz PABBVAPGAYTSKA-MRXNPFEDSA-N 2 2 314.433 2.349 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001501427162 1059505566 /nfs/dbraw/zinc/50/55/66/1059505566.db2.gz AWUNFLUYYUWERP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001501427162 1059505588 /nfs/dbraw/zinc/50/55/88/1059505588.db2.gz AWUNFLUYYUWERP-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001501712362 1059658424 /nfs/dbraw/zinc/65/84/24/1059658424.db2.gz NWCYXEFPCNHRGU-BZUAXINKSA-N 2 2 318.465 2.429 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001501712362 1059658431 /nfs/dbraw/zinc/65/84/31/1059658431.db2.gz NWCYXEFPCNHRGU-BZUAXINKSA-N 2 2 318.465 2.429 20 30 DEEDLP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001479526875 1061495438 /nfs/dbraw/zinc/49/54/38/1061495438.db2.gz RSFDQSNSZHZPGI-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001479982267 1062142049 /nfs/dbraw/zinc/14/20/49/1062142049.db2.gz VNXQKSDGYICNAP-INIZCTEOSA-N 2 2 316.449 2.279 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001479982267 1062142056 /nfs/dbraw/zinc/14/20/56/1062142056.db2.gz VNXQKSDGYICNAP-INIZCTEOSA-N 2 2 316.449 2.279 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480320254 1062645416 /nfs/dbraw/zinc/64/54/16/1062645416.db2.gz WOVBKIUZKQTUOS-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480320254 1062645423 /nfs/dbraw/zinc/64/54/23/1062645423.db2.gz WOVBKIUZKQTUOS-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001480320254 1062645428 /nfs/dbraw/zinc/64/54/28/1062645428.db2.gz WOVBKIUZKQTUOS-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001480320254 1062645437 /nfs/dbraw/zinc/64/54/37/1062645437.db2.gz WOVBKIUZKQTUOS-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001480334630 1062673906 /nfs/dbraw/zinc/67/39/06/1062673906.db2.gz GDVYKGGQBXSMLA-GOSISDBHSA-N 2 2 315.461 2.275 20 30 DEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001480334630 1062673915 /nfs/dbraw/zinc/67/39/15/1062673915.db2.gz GDVYKGGQBXSMLA-GOSISDBHSA-N 2 2 315.461 2.275 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001480334630 1062673926 /nfs/dbraw/zinc/67/39/26/1062673926.db2.gz GDVYKGGQBXSMLA-GOSISDBHSA-N 2 2 315.461 2.275 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507027689 1062691682 /nfs/dbraw/zinc/69/16/82/1062691682.db2.gz SRQOMWIHWKOKRD-HOCLYGCPSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001493158594 1063610034 /nfs/dbraw/zinc/61/00/34/1063610034.db2.gz FKVGKECDXSFCNV-DOTOQJQBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001493158594 1063610036 /nfs/dbraw/zinc/61/00/36/1063610036.db2.gz FKVGKECDXSFCNV-DOTOQJQBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001494210376 1064175026 /nfs/dbraw/zinc/17/50/26/1064175026.db2.gz RLJRGEZXUWLHQD-OAHLLOKOSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001494210376 1064175031 /nfs/dbraw/zinc/17/50/31/1064175031.db2.gz RLJRGEZXUWLHQD-OAHLLOKOSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001567409342 1064187112 /nfs/dbraw/zinc/18/71/12/1064187112.db2.gz FYHFZEPVHYYKKW-JKSUJKDBSA-N 2 2 304.438 2.239 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001567409342 1064187115 /nfs/dbraw/zinc/18/71/15/1064187115.db2.gz FYHFZEPVHYYKKW-JKSUJKDBSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001494326376 1064214399 /nfs/dbraw/zinc/21/43/99/1064214399.db2.gz NXRNGRQLDJXPPK-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001494326376 1064214405 /nfs/dbraw/zinc/21/44/05/1064214405.db2.gz NXRNGRQLDJXPPK-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568141170 1064668270 /nfs/dbraw/zinc/66/82/70/1064668270.db2.gz YAZIHEYTMXJFLB-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001568346593 1064792202 /nfs/dbraw/zinc/79/22/02/1064792202.db2.gz KMKOPVPZYMNFAQ-HNNXBMFYSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001568398430 1064836854 /nfs/dbraw/zinc/83/68/54/1064836854.db2.gz WIHAXKQAVFKUJU-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001568406836 1064843747 /nfs/dbraw/zinc/84/37/47/1064843747.db2.gz LZVHYPCUJBGZSQ-KGLIPLIRSA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001568450763 1064880126 /nfs/dbraw/zinc/88/01/26/1064880126.db2.gz BNVHQQVDNGHURK-INIZCTEOSA-N 2 2 312.417 2.010 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001568542138 1064954760 /nfs/dbraw/zinc/95/47/60/1064954760.db2.gz ZMMNFZDIAKHKBR-GJZGRUSLSA-N 2 2 304.438 2.101 20 30 DEEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001569379663 1065476365 /nfs/dbraw/zinc/47/63/65/1065476365.db2.gz FVEQSLWHEOLKEL-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001569379663 1065476376 /nfs/dbraw/zinc/47/63/76/1065476376.db2.gz FVEQSLWHEOLKEL-ROUUACIJSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001496484347 1065502059 /nfs/dbraw/zinc/50/20/59/1065502059.db2.gz BJCIQHGQRFRGPT-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001569706939 1065682091 /nfs/dbraw/zinc/68/20/91/1065682091.db2.gz DWDAEYRVKPRDFX-UHFFFAOYSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001496898589 1065787964 /nfs/dbraw/zinc/78/79/64/1065787964.db2.gz LDPVDWQBFUWIPU-JKSUJKDBSA-N 2 2 318.465 2.193 20 30 DEEDLP C#CCC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001570261850 1065995532 /nfs/dbraw/zinc/99/55/32/1065995532.db2.gz FATANKWLYHQNSG-INIZCTEOSA-N 2 2 316.449 2.218 20 30 DEEDLP C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C[NH3+] ZINC001576734621 1066674207 /nfs/dbraw/zinc/67/42/07/1066674207.db2.gz DKISQYAEUMLWBW-IUODEOHRSA-N 2 2 311.389 2.025 20 30 DEEDLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C[NH3+] ZINC001576734621 1066674211 /nfs/dbraw/zinc/67/42/11/1066674211.db2.gz DKISQYAEUMLWBW-IUODEOHRSA-N 2 2 311.389 2.025 20 30 DEEDLP C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C[NH3+] ZINC001576734623 1066674376 /nfs/dbraw/zinc/67/43/76/1066674376.db2.gz DKISQYAEUMLWBW-WFASDCNBSA-N 2 2 311.389 2.025 20 30 DEEDLP C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C[NH3+] ZINC001576734623 1066674378 /nfs/dbraw/zinc/67/43/78/1066674378.db2.gz DKISQYAEUMLWBW-WFASDCNBSA-N 2 2 311.389 2.025 20 30 DEEDLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc21 ZINC001578429600 1067099368 /nfs/dbraw/zinc/09/93/68/1067099368.db2.gz CMBMDNNRECIDQQ-OAHLLOKOSA-N 2 2 311.389 2.260 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001571023128 1068173585 /nfs/dbraw/zinc/17/35/85/1068173585.db2.gz PQEBODSYCQNOTO-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001571023128 1068173591 /nfs/dbraw/zinc/17/35/91/1068173591.db2.gz PQEBODSYCQNOTO-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001571626966 1068447878 /nfs/dbraw/zinc/44/78/78/1068447878.db2.gz LRIRSFLGOOGFSR-GOEBONIOSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001571629696 1068449307 /nfs/dbraw/zinc/44/93/07/1068449307.db2.gz QJXITMUEMVGIEE-OAHLLOKOSA-N 2 2 306.454 2.360 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001267486987 1078912155 /nfs/dbraw/zinc/91/21/55/1078912155.db2.gz PFTGMARSCIQIDP-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001267486987 1078912163 /nfs/dbraw/zinc/91/21/63/1078912163.db2.gz PFTGMARSCIQIDP-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001483935141 1079195921 /nfs/dbraw/zinc/19/59/21/1079195921.db2.gz SSVNDOJNBRGVAR-IRXDYDNUSA-N 2 2 316.449 2.074 20 30 DEEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484102674 1079303597 /nfs/dbraw/zinc/30/35/97/1079303597.db2.gz ZDZULXDHFISXBL-SFHVURJKSA-N 2 2 310.401 2.028 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001566742312 1075332274 /nfs/dbraw/zinc/33/22/74/1075332274.db2.gz SUZLNKVJEYYAJG-KRWDZBQOSA-N 2 2 318.465 2.410 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001566742312 1075332279 /nfs/dbraw/zinc/33/22/79/1075332279.db2.gz SUZLNKVJEYYAJG-KRWDZBQOSA-N 2 2 318.465 2.410 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001484351976 1079557981 /nfs/dbraw/zinc/55/79/81/1079557981.db2.gz HKFLGRKFJHVRMA-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001484373609 1079573291 /nfs/dbraw/zinc/57/32/91/1079573291.db2.gz IJZLNVFFESVYTH-DOTOQJQBSA-N 2 2 324.428 2.356 20 30 DEEDLP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001481339152 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JXCJJIKSQHVNQQ-IRXDYDNUSA-N 2 2 300.487 2.456 20 30 DEEDLP C=CCCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273500082 1091886431 /nfs/dbraw/zinc/88/64/31/1091886431.db2.gz IMXGZZYFBXXHJB-GOSISDBHSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273500082 1091886435 /nfs/dbraw/zinc/88/64/35/1091886435.db2.gz IMXGZZYFBXXHJB-GOSISDBHSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812139 1091951835 /nfs/dbraw/zinc/95/18/35/1091951835.db2.gz HFRISRRFUXLADJ-AWEZNQCLSA-N 2 2 310.829 2.018 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812139 1091951840 /nfs/dbraw/zinc/95/18/40/1091951840.db2.gz HFRISRRFUXLADJ-AWEZNQCLSA-N 2 2 310.829 2.018 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948811919 1091951965 /nfs/dbraw/zinc/95/19/65/1091951965.db2.gz BHTQWASZHCFYAT-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C#CCC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001273807044 1092101867 /nfs/dbraw/zinc/10/18/67/1092101867.db2.gz GUNXQAVXLYYFOP-UHFFFAOYSA-N 2 2 316.449 2.047 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001489005182 1092886512 /nfs/dbraw/zinc/88/65/12/1092886512.db2.gz YHYUVZKLONRAQS-WMLDXEAASA-N 2 2 318.465 2.444 20 30 DEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237187256 1138523912 /nfs/dbraw/zinc/52/39/12/1138523912.db2.gz ZLJCUWJNVPMLFN-UHFFFAOYSA-N 2 2 321.490 2.360 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCCCC1 ZINC001319664081 1140649315 /nfs/dbraw/zinc/64/93/15/1140649315.db2.gz SLPIFQZLVHGOTP-QGZVFWFLSA-N 2 2 318.465 2.193 20 30 DEEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001245984125 1140840994 /nfs/dbraw/zinc/84/09/94/1140840994.db2.gz MPXFZVHAFBECLU-BRSBDYLESA-N 2 2 312.498 2.455 20 30 DEEDLP CCCCCCCC[C@H](O)C[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001245994258 1140843542 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ILLDDRJTUQGTJO-UHFFFAOYSA-N 2 2 304.438 2.162 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319619 1144693033 /nfs/dbraw/zinc/69/30/33/1144693033.db2.gz OJTUBCQBYLDQCB-OAHLLOKOSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319619 1144693036 /nfs/dbraw/zinc/69/30/36/1144693036.db2.gz OJTUBCQBYLDQCB-OAHLLOKOSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281046194 1144870061 /nfs/dbraw/zinc/87/00/61/1144870061.db2.gz GPMGSPYBUGOJSJ-UHFFFAOYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281557240 1144897040 /nfs/dbraw/zinc/89/70/40/1144897040.db2.gz ODUDKQRPFPUSBA-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281557240 1144897041 /nfs/dbraw/zinc/89/70/41/1144897041.db2.gz ODUDKQRPFPUSBA-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281557240 1144897042 /nfs/dbraw/zinc/89/70/42/1144897042.db2.gz ODUDKQRPFPUSBA-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281557240 1144897043 /nfs/dbraw/zinc/89/70/43/1144897043.db2.gz ODUDKQRPFPUSBA-OAHLLOKOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281669804 1144905227 /nfs/dbraw/zinc/90/52/27/1144905227.db2.gz KCTGXJHZUUFIDM-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281669804 1144905230 /nfs/dbraw/zinc/90/52/30/1144905230.db2.gz KCTGXJHZUUFIDM-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282666503 1145119423 /nfs/dbraw/zinc/11/94/23/1145119423.db2.gz MHXHCRKIGLAYDC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282666503 1145119438 /nfs/dbraw/zinc/11/94/38/1145119438.db2.gz MHXHCRKIGLAYDC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282666503 1145119455 /nfs/dbraw/zinc/11/94/55/1145119455.db2.gz MHXHCRKIGLAYDC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282666503 1145119472 /nfs/dbraw/zinc/11/94/72/1145119472.db2.gz MHXHCRKIGLAYDC-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282716130 1145141755 /nfs/dbraw/zinc/14/17/55/1145141755.db2.gz GGMJRLBRUBDSKR-ZIAGYGMSSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282716130 1145141769 /nfs/dbraw/zinc/14/17/69/1145141769.db2.gz GGMJRLBRUBDSKR-ZIAGYGMSSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001365870177 1146035416 /nfs/dbraw/zinc/03/54/16/1146035416.db2.gz VYIJCJXOZQCWQC-MJBXVCDLSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001365870177 1146035420 /nfs/dbraw/zinc/03/54/20/1146035420.db2.gz VYIJCJXOZQCWQC-MJBXVCDLSA-N 2 2 301.862 2.048 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001316710164 1147539535 /nfs/dbraw/zinc/53/95/35/1147539535.db2.gz VWWMXUSHRPRSAB-HIFRSBDPSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001316933297 1147634470 /nfs/dbraw/zinc/63/44/70/1147634470.db2.gz IGRSWZPFHNBUQG-HNNXBMFYSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317682528 1147743422 /nfs/dbraw/zinc/74/34/22/1147743422.db2.gz LXFNMNVXLIPEFQ-CYBMUJFWSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317688514 1147744331 /nfs/dbraw/zinc/74/43/31/1147744331.db2.gz XCYYFGLRZUCDGE-HUUCEWRRSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[NH+]1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318127951 1147778639 /nfs/dbraw/zinc/77/86/39/1147778639.db2.gz DLOQRQRFAYQDHC-INIZCTEOSA-N 2 2 304.438 2.094 20 30 DEEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001325430190 1147907248 /nfs/dbraw/zinc/90/72/48/1147907248.db2.gz WNOKIQSTXYWXAQ-LSDHHAIUSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052868372 354414749 /nfs/dbraw/zinc/41/47/49/354414749.db2.gz ABVWTPKIYWQMOP-UHFFFAOYSA-N 2 2 313.445 2.005 20 30 DEEDLP CC[N@H+](CCC#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081515176 355434625 /nfs/dbraw/zinc/43/46/25/355434625.db2.gz FBEXMQVRDUKCSZ-HNNXBMFYSA-N 2 2 300.406 2.250 20 30 DEEDLP CC[N@@H+](CCC#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081515176 355434629 /nfs/dbraw/zinc/43/46/29/355434629.db2.gz FBEXMQVRDUKCSZ-HNNXBMFYSA-N 2 2 300.406 2.250 20 30 DEEDLP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693353 358124855 /nfs/dbraw/zinc/12/48/55/358124855.db2.gz VUTZCVAAJYOYQW-UHFFFAOYSA-N 2 2 309.417 2.344 20 30 DEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598701480 359296877 /nfs/dbraw/zinc/29/68/77/359296877.db2.gz LCGLEVJXGYSIAJ-CQSZACIVSA-N 2 2 300.406 2.235 20 30 DEEDLP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443966671 238132638 /nfs/dbraw/zinc/13/26/38/238132638.db2.gz LQAWULHJGVAAGR-HOTGVXAUSA-N 2 2 301.434 2.456 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000268961708 207126062 /nfs/dbraw/zinc/12/60/62/207126062.db2.gz JBGGSCQPNMEVAF-DLBZAZTESA-N 2 2 303.406 2.009 20 30 DEEDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000537593085 285003700 /nfs/dbraw/zinc/00/37/00/285003700.db2.gz UUHMXCQVZACNNJ-KRWDZBQOSA-N 2 2 321.428 2.285 20 30 DEEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000537593085 285003703 /nfs/dbraw/zinc/00/37/03/285003703.db2.gz UUHMXCQVZACNNJ-KRWDZBQOSA-N 2 2 321.428 2.285 20 30 DEEDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000305858536 145348560 /nfs/dbraw/zinc/34/85/60/145348560.db2.gz WUAXHFVHZQBIGF-YOEHRIQHSA-N 2 2 319.424 2.441 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133459091 401887234 /nfs/dbraw/zinc/88/72/34/401887234.db2.gz IKMGYIVONIDENA-KRWDZBQOSA-N 2 2 300.450 2.102 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133459091 401887237 /nfs/dbraw/zinc/88/72/37/401887237.db2.gz IKMGYIVONIDENA-KRWDZBQOSA-N 2 2 300.450 2.102 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000153188490 402131386 /nfs/dbraw/zinc/13/13/86/402131386.db2.gz AGEBJSCVKXMVGH-IRXDYDNUSA-N 2 2 316.445 2.318 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028593 402291499 /nfs/dbraw/zinc/29/14/99/402291499.db2.gz BGENUAYWSMPZJQ-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028593 402291502 /nfs/dbraw/zinc/29/15/02/402291502.db2.gz BGENUAYWSMPZJQ-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028593 402291506 /nfs/dbraw/zinc/29/15/06/402291506.db2.gz BGENUAYWSMPZJQ-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157028593 402291510 /nfs/dbraw/zinc/29/15/10/402291510.db2.gz BGENUAYWSMPZJQ-WMZOPIPTSA-N 2 2 315.461 2.274 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC000177382664 402396740 /nfs/dbraw/zinc/39/67/40/402396740.db2.gz LGFXFMYSUMMPTO-UHFFFAOYSA-N 2 2 300.450 2.016 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1C#N ZINC000177382664 402396742 /nfs/dbraw/zinc/39/67/42/402396742.db2.gz LGFXFMYSUMMPTO-UHFFFAOYSA-N 2 2 300.450 2.016 20 30 DEEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000177382664 402396744 /nfs/dbraw/zinc/39/67/44/402396744.db2.gz LGFXFMYSUMMPTO-UHFFFAOYSA-N 2 2 300.450 2.016 20 30 DEEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000177382664 402396745 /nfs/dbraw/zinc/39/67/45/402396745.db2.gz LGFXFMYSUMMPTO-UHFFFAOYSA-N 2 2 300.450 2.016 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ncc(C3CC3)o2)cc1 ZINC000270424990 403190188 /nfs/dbraw/zinc/19/01/88/403190188.db2.gz AMNBHAXIICEJDP-UHFFFAOYSA-N 2 2 314.389 2.451 20 30 DEEDLP C[NH+](C)C(C)(C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285557180 403326111 /nfs/dbraw/zinc/32/61/11/403326111.db2.gz GYVLZAIDWCYXRV-UHFFFAOYSA-N 2 2 300.450 2.457 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332368875 403562429 /nfs/dbraw/zinc/56/24/29/403562429.db2.gz RZQYSGHWDMECDK-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332368875 403562432 /nfs/dbraw/zinc/56/24/32/403562432.db2.gz RZQYSGHWDMECDK-WMLDXEAASA-N 2 2 314.433 2.301 20 30 DEEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124751 403967889 /nfs/dbraw/zinc/96/78/89/403967889.db2.gz DKFHZGGYCKMQGW-ZWKOTPCHSA-N 2 2 319.493 2.361 20 30 DEEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000337124751 403967894 /nfs/dbraw/zinc/96/78/94/403967894.db2.gz DKFHZGGYCKMQGW-ZWKOTPCHSA-N 2 2 319.493 2.361 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172902 403969595 /nfs/dbraw/zinc/96/95/95/403969595.db2.gz GUFZZJSKDKMYKY-BZSNNMDCSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172902 403969603 /nfs/dbraw/zinc/96/96/03/403969603.db2.gz GUFZZJSKDKMYKY-BZSNNMDCSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172902 403969607 /nfs/dbraw/zinc/96/96/07/403969607.db2.gz GUFZZJSKDKMYKY-BZSNNMDCSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000337172902 403969615 /nfs/dbraw/zinc/96/96/15/403969615.db2.gz GUFZZJSKDKMYKY-BZSNNMDCSA-N 2 2 319.493 2.360 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328687042 404130794 /nfs/dbraw/zinc/13/07/94/404130794.db2.gz GRKYSEHDZBYVPS-HUUCEWRRSA-N 2 2 317.437 2.130 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328687042 404130802 /nfs/dbraw/zinc/13/08/02/404130802.db2.gz GRKYSEHDZBYVPS-HUUCEWRRSA-N 2 2 317.437 2.130 20 30 DEEDLP C=CC[N@@H+](CCOC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342150627 404405109 /nfs/dbraw/zinc/40/51/09/404405109.db2.gz ATNIDRBPGFEWOO-IBGZPJMESA-N 2 2 318.461 2.412 20 30 DEEDLP C=CC[N@H+](CCOC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342150627 404405120 /nfs/dbraw/zinc/40/51/20/404405120.db2.gz ATNIDRBPGFEWOO-IBGZPJMESA-N 2 2 318.461 2.412 20 30 DEEDLP C=CC[NH+](CCOC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342150627 404405129 /nfs/dbraw/zinc/40/51/29/404405129.db2.gz ATNIDRBPGFEWOO-IBGZPJMESA-N 2 2 318.461 2.412 20 30 DEEDLP C=CC[NH+](CCOC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342150627 404405136 /nfs/dbraw/zinc/40/51/36/404405136.db2.gz ATNIDRBPGFEWOO-IBGZPJMESA-N 2 2 318.461 2.412 20 30 DEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329949040 404503159 /nfs/dbraw/zinc/50/31/59/404503159.db2.gz LFTKHMKVBNPLSU-FPCVCCKLSA-N 2 2 319.453 2.163 20 30 DEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329949040 404503166 /nfs/dbraw/zinc/50/31/66/404503166.db2.gz LFTKHMKVBNPLSU-FPCVCCKLSA-N 2 2 319.453 2.163 20 30 DEEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329949040 404503172 /nfs/dbraw/zinc/50/31/72/404503172.db2.gz LFTKHMKVBNPLSU-FPCVCCKLSA-N 2 2 319.453 2.163 20 30 DEEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329949040 404503179 /nfs/dbraw/zinc/50/31/79/404503179.db2.gz LFTKHMKVBNPLSU-FPCVCCKLSA-N 2 2 319.453 2.163 20 30 DEEDLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccc(C#N)cc2)s1 ZINC000352781943 404616266 /nfs/dbraw/zinc/61/62/66/404616266.db2.gz ATZKBJILEIEOAJ-UHFFFAOYSA-N 2 2 316.430 2.245 20 30 DEEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330336177 404630002 /nfs/dbraw/zinc/63/00/02/404630002.db2.gz SFOFBGLVDUFFMU-HLPPOEQASA-N 2 2 320.437 2.470 20 30 DEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330336177 404630010 /nfs/dbraw/zinc/63/00/10/404630010.db2.gz SFOFBGLVDUFFMU-HLPPOEQASA-N 2 2 320.437 2.470 20 30 DEEDLP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000424141596 405020084 /nfs/dbraw/zinc/02/00/84/405020084.db2.gz GQDSEYKPRSQIGL-XJKSGUPXSA-N 2 2 311.389 2.071 20 30 DEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353979132 404981212 /nfs/dbraw/zinc/98/12/12/404981212.db2.gz PKFYYLPPNOKWIK-DQIHPLBOSA-N 2 2 307.482 2.260 20 30 DEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353979132 404981217 /nfs/dbraw/zinc/98/12/17/404981217.db2.gz PKFYYLPPNOKWIK-DQIHPLBOSA-N 2 2 307.482 2.260 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)OCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000490850880 406497719 /nfs/dbraw/zinc/49/77/19/406497719.db2.gz CFTGTJYHVGFAAL-UHFFFAOYSA-N 2 2 311.385 2.031 20 30 DEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786038 406891855 /nfs/dbraw/zinc/89/18/55/406891855.db2.gz NEBCZVISOSCGSS-QYZOEREBSA-N 2 2 321.509 2.117 20 30 DEEDLP C=CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664131494 425312525 /nfs/dbraw/zinc/31/25/25/425312525.db2.gz ZHKAQDYEJHFVSE-HNNXBMFYSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664131494 425312530 /nfs/dbraw/zinc/31/25/30/425312530.db2.gz ZHKAQDYEJHFVSE-HNNXBMFYSA-N 2 2 322.497 2.199 20 30 DEEDLP C[NH+]=C(NCc1ccoc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179227058 275408685 /nfs/dbraw/zinc/40/86/85/275408685.db2.gz PRROYNHNJWXVJI-UKRRQHHQSA-N 2 2 301.394 2.135 20 30 DEEDLP Cc1c[nH+]c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1C ZINC000348889087 302341319 /nfs/dbraw/zinc/34/13/19/302341319.db2.gz BWVHKTYHCBAPLN-UHFFFAOYSA-N 2 2 311.433 2.164 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001378154851 1161060897 /nfs/dbraw/zinc/06/08/97/1161060897.db2.gz NGGOUTNWMIHBRW-HUUCEWRRSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001378154851 1161060901 /nfs/dbraw/zinc/06/09/01/1161060901.db2.gz NGGOUTNWMIHBRW-HUUCEWRRSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001378154851 1161060907 /nfs/dbraw/zinc/06/09/07/1161060907.db2.gz NGGOUTNWMIHBRW-HUUCEWRRSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001378154851 1161060913 /nfs/dbraw/zinc/06/09/13/1161060913.db2.gz NGGOUTNWMIHBRW-HUUCEWRRSA-N 2 2 315.889 2.438 20 30 DEEDLP C[C@@H]1CCC[C@@](CNC(=O)N(C)Cc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000330709880 533797163 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2.209 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132781741 788191133 /nfs/dbraw/zinc/19/11/33/788191133.db2.gz FOADRZHCYZYVSK-GXTWGEPZSA-N 2 2 324.856 2.169 20 30 DEEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609276 789811201 /nfs/dbraw/zinc/81/12/01/789811201.db2.gz IIZWJUJTKGXJFJ-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609276 789811208 /nfs/dbraw/zinc/81/12/08/789811208.db2.gz IIZWJUJTKGXJFJ-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100440044 792653812 /nfs/dbraw/zinc/65/38/12/792653812.db2.gz HSWRFFFEKBKJHY-UHFFFAOYSA-N 2 2 324.856 2.164 20 30 DEEDLP CCCCCCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100791728 792850168 /nfs/dbraw/zinc/85/01/68/792850168.db2.gz RKUIVJLAFNOFFQ-UHFFFAOYSA-N 2 2 306.454 2.407 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486670 793094810 /nfs/dbraw/zinc/09/48/10/793094810.db2.gz MVEWFELGSHBLBN-AWEZNQCLSA-N 2 2 305.422 2.083 20 30 DEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171476278 793107540 /nfs/dbraw/zinc/10/75/40/793107540.db2.gz SAKFNJYOCNUSNP-OAHLLOKOSA-N 2 2 318.465 2.215 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604747 793146773 /nfs/dbraw/zinc/14/67/73/793146773.db2.gz KFYWSBCPJKXHSE-HIFRSBDPSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604747 793146776 /nfs/dbraw/zinc/14/67/76/793146776.db2.gz KFYWSBCPJKXHSE-HIFRSBDPSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604746 793146938 /nfs/dbraw/zinc/14/69/38/793146938.db2.gz KFYWSBCPJKXHSE-DZGCQCFKSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604746 793146942 /nfs/dbraw/zinc/14/69/42/793146942.db2.gz KFYWSBCPJKXHSE-DZGCQCFKSA-N 2 2 318.465 2.274 20 30 DEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546887 793224138 /nfs/dbraw/zinc/22/41/38/793224138.db2.gz WGYXMKGLKLKTBO-UHFFFAOYSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546887 793224142 /nfs/dbraw/zinc/22/41/42/793224142.db2.gz WGYXMKGLKLKTBO-UHFFFAOYSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616928 793673868 /nfs/dbraw/zinc/67/38/68/793673868.db2.gz YTXDAXQLUHNLSH-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616928 793673873 /nfs/dbraw/zinc/67/38/73/793673873.db2.gz YTXDAXQLUHNLSH-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224261 793991397 /nfs/dbraw/zinc/99/13/97/793991397.db2.gz RZGYOXFSLZMJRU-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224261 793991404 /nfs/dbraw/zinc/99/14/04/793991404.db2.gz RZGYOXFSLZMJRU-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260425 794007368 /nfs/dbraw/zinc/00/73/68/794007368.db2.gz UGUUKELLDPNDOH-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260425 794007376 /nfs/dbraw/zinc/00/73/76/794007376.db2.gz UGUUKELLDPNDOH-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849229 795694642 /nfs/dbraw/zinc/69/46/42/795694642.db2.gz XXMWTFJUXOGKAO-HOUHCIJLSA-N 2 2 302.422 2.037 20 30 DEEDLP C=C(C[NH+]1CCCC1)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001183044223 795794402 /nfs/dbraw/zinc/79/44/02/795794402.db2.gz FBKXVNMEQOICBV-UHFFFAOYSA-N 2 2 324.428 2.483 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905547 796150008 /nfs/dbraw/zinc/15/00/08/796150008.db2.gz WCYJSTUSKYUXRY-DLBZAZTESA-N 2 2 318.465 2.314 20 30 DEEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC001139874661 796439389 /nfs/dbraw/zinc/43/93/89/796439389.db2.gz HMZQBSCIZQBQTI-UHFFFAOYSA-N 2 2 321.396 2.014 20 30 DEEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC001139874661 796439391 /nfs/dbraw/zinc/43/93/91/796439391.db2.gz HMZQBSCIZQBQTI-UHFFFAOYSA-N 2 2 321.396 2.014 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013345 796493518 /nfs/dbraw/zinc/49/35/18/796493518.db2.gz JCWVCUHYMVCJQR-CVEARBPZSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013345 796493522 /nfs/dbraw/zinc/49/35/22/796493522.db2.gz JCWVCUHYMVCJQR-CVEARBPZSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013356 796493725 /nfs/dbraw/zinc/49/37/25/796493725.db2.gz JCWVCUHYMVCJQR-JKSUJKDBSA-N 2 2 316.449 2.326 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013356 796493726 /nfs/dbraw/zinc/49/37/26/796493726.db2.gz JCWVCUHYMVCJQR-JKSUJKDBSA-N 2 2 316.449 2.326 20 30 DEEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816108 797084230 /nfs/dbraw/zinc/08/42/30/797084230.db2.gz BDWABRPFPBQHRA-IAGOWNOFSA-N 2 2 316.449 2.026 20 30 DEEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816108 797084238 /nfs/dbraw/zinc/08/42/38/797084238.db2.gz BDWABRPFPBQHRA-IAGOWNOFSA-N 2 2 316.449 2.026 20 30 DEEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587743 797223946 /nfs/dbraw/zinc/22/39/46/797223946.db2.gz ZDVKCQKAHAYZTP-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587743 797223949 /nfs/dbraw/zinc/22/39/49/797223949.db2.gz ZDVKCQKAHAYZTP-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154079503 797458234 /nfs/dbraw/zinc/45/82/34/797458234.db2.gz XIBBZWTXKUQOMD-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154079503 797458239 /nfs/dbraw/zinc/45/82/39/797458239.db2.gz XIBBZWTXKUQOMD-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787322 797620792 /nfs/dbraw/zinc/62/07/92/797620792.db2.gz POYXFRIOUAJMMZ-NVXWUHKLSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787322 797620797 /nfs/dbraw/zinc/62/07/97/797620797.db2.gz POYXFRIOUAJMMZ-NVXWUHKLSA-N 2 2 318.465 2.240 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751084 797840057 /nfs/dbraw/zinc/84/00/57/797840057.db2.gz HWRYZTSVSDJJBD-LSDHHAIUSA-N 2 2 306.454 2.381 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751084 797840063 /nfs/dbraw/zinc/84/00/63/797840063.db2.gz HWRYZTSVSDJJBD-LSDHHAIUSA-N 2 2 306.454 2.381 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751084 797840067 /nfs/dbraw/zinc/84/00/67/797840067.db2.gz HWRYZTSVSDJJBD-LSDHHAIUSA-N 2 2 306.454 2.381 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751084 797840072 /nfs/dbraw/zinc/84/00/72/797840072.db2.gz HWRYZTSVSDJJBD-LSDHHAIUSA-N 2 2 306.454 2.381 20 30 DEEDLP C[NH+](C)C1(CNc2ncc(Cl)cc2C#N)CC[NH+](C)CC1 ZINC001156185534 797942037 /nfs/dbraw/zinc/94/20/37/797942037.db2.gz RODIEZJQZVLQCP-UHFFFAOYSA-N 2 2 307.829 2.045 20 30 DEEDLP N#CCc1cc[nH+]c(NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001160112021 798649093 /nfs/dbraw/zinc/64/90/93/798649093.db2.gz IFEODZMSLZLYJY-UHFFFAOYSA-N 2 2 307.401 2.169 20 30 DEEDLP C[NH+](C)CCOc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001212809171 799393929 /nfs/dbraw/zinc/39/39/29/799393929.db2.gz ZLWPFNQOXMGABS-UHFFFAOYSA-N 2 2 314.389 2.266 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110876137 799526246 /nfs/dbraw/zinc/52/62/46/799526246.db2.gz CMLKYXQLEOIZLJ-HZMVEIRTSA-N 2 2 316.449 2.349 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110876137 799526249 /nfs/dbraw/zinc/52/62/49/799526249.db2.gz CMLKYXQLEOIZLJ-HZMVEIRTSA-N 2 2 316.449 2.349 20 30 DEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111075325 800375212 /nfs/dbraw/zinc/37/52/12/800375212.db2.gz VUMBEBGKWQHVJG-JJXSEGSLSA-N 2 2 302.422 2.132 20 30 DEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111075325 800375218 /nfs/dbraw/zinc/37/52/18/800375218.db2.gz VUMBEBGKWQHVJG-JJXSEGSLSA-N 2 2 302.422 2.132 20 30 DEEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c2c1 ZINC001205768852 800416544 /nfs/dbraw/zinc/41/65/44/800416544.db2.gz GZBVHHCYTSTSCK-ZDUSSCGKSA-N 2 2 304.344 2.455 20 30 DEEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c2c1 ZINC001205768852 800416548 /nfs/dbraw/zinc/41/65/48/800416548.db2.gz GZBVHHCYTSTSCK-ZDUSSCGKSA-N 2 2 304.344 2.455 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127912 800845619 /nfs/dbraw/zinc/84/56/19/800845619.db2.gz NBGVSZZLPOOFQN-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127912 800845622 /nfs/dbraw/zinc/84/56/22/800845622.db2.gz NBGVSZZLPOOFQN-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127912 800845626 /nfs/dbraw/zinc/84/56/26/800845626.db2.gz NBGVSZZLPOOFQN-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127912 800845633 /nfs/dbraw/zinc/84/56/33/800845633.db2.gz NBGVSZZLPOOFQN-SVGFKBNWSA-N 2 2 316.449 2.276 20 30 DEEDLP C#Cc1cccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001231659458 801706160 /nfs/dbraw/zinc/70/61/60/801706160.db2.gz MKYHLJKMGSLTCP-UHFFFAOYSA-N 2 2 306.413 2.397 20 30 DEEDLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232845814 801972021 /nfs/dbraw/zinc/97/20/21/801972021.db2.gz SFOBPRWKPBXQKM-UHFFFAOYSA-N 2 2 320.506 2.469 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224666354 802892259 /nfs/dbraw/zinc/89/22/59/802892259.db2.gz WHTJLJOUGVVTRH-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226697575 803144498 /nfs/dbraw/zinc/14/44/98/803144498.db2.gz ZSLQWZKXSMHTTK-HZPDHXFCSA-N 2 2 304.438 2.326 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226697575 803144502 /nfs/dbraw/zinc/14/45/02/803144502.db2.gz ZSLQWZKXSMHTTK-HZPDHXFCSA-N 2 2 304.438 2.326 20 30 DEEDLP C=C(C)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001327996529 1148695363 /nfs/dbraw/zinc/69/53/63/1148695363.db2.gz UWEUTBINUBCJRY-UHFFFAOYSA-N 2 2 317.433 2.180 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001368495717 1148467952 /nfs/dbraw/zinc/46/79/52/1148467952.db2.gz HSWRFFFEKBKJHY-OKILXGFUSA-N 2 2 324.856 2.164 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001500457198 1058803282 /nfs/dbraw/zinc/80/32/82/1058803282.db2.gz DUXIZZITHBWAEC-UHFFFAOYSA-N 2 2 318.465 2.147 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001501083997 1059271751 /nfs/dbraw/zinc/27/17/51/1059271751.db2.gz OITILLNSZWSOGF-GJZGRUSLSA-N 2 2 318.465 2.480 20 30 DEEDLP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001501245735 1059402926 /nfs/dbraw/zinc/40/29/26/1059402926.db2.gz UQLSIYRQZNHLPL-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001501245735 1059402943 /nfs/dbraw/zinc/40/29/43/1059402943.db2.gz UQLSIYRQZNHLPL-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001501718286 1059661602 /nfs/dbraw/zinc/66/16/02/1059661602.db2.gz HXVCIHUTSWGVCN-WKILWMFISA-N 2 2 318.465 2.491 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001479519941 1061487641 /nfs/dbraw/zinc/48/76/41/1061487641.db2.gz QZOPYKZJOIAUNU-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001479590403 1061512341 /nfs/dbraw/zinc/51/23/41/1061512341.db2.gz VAKIMUFGXUSBTC-SJORKVTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480296470 1062601411 /nfs/dbraw/zinc/60/14/11/1062601411.db2.gz AXFYNLADVQXCTG-HZPDHXFCSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001506963883 1062605100 /nfs/dbraw/zinc/60/51/00/1062605100.db2.gz AZWFECZQTVLSDS-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001506963883 1062605109 /nfs/dbraw/zinc/60/51/09/1062605109.db2.gz AZWFECZQTVLSDS-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001506963883 1062605123 /nfs/dbraw/zinc/60/51/23/1062605123.db2.gz AZWFECZQTVLSDS-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001506963883 1062605134 /nfs/dbraw/zinc/60/51/34/1062605134.db2.gz AZWFECZQTVLSDS-AWEZNQCLSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480332514 1062668300 /nfs/dbraw/zinc/66/83/00/1062668300.db2.gz YVXQSDIBFLQUPY-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480332514 1062668311 /nfs/dbraw/zinc/66/83/11/1062668311.db2.gz YVXQSDIBFLQUPY-OAHLLOKOSA-N 2 2 304.438 2.198 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480481652 1062917411 /nfs/dbraw/zinc/91/74/11/1062917411.db2.gz WCHQBHFZZRTPBY-UONOGXRCSA-N 2 2 312.845 2.317 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001507363529 1063156606 /nfs/dbraw/zinc/15/66/06/1063156606.db2.gz LWGIXJXPHIBTKW-BZUAXINKSA-N 2 2 316.449 2.135 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001507372459 1063174493 /nfs/dbraw/zinc/17/44/93/1063174493.db2.gz GFUGGEGXPPPKPT-CVEARBPZSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001507372459 1063174498 /nfs/dbraw/zinc/17/44/98/1063174498.db2.gz GFUGGEGXPPPKPT-CVEARBPZSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494018489 1064085625 /nfs/dbraw/zinc/08/56/25/1064085625.db2.gz BQURILYSJFPSFR-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001494018489 1064085632 /nfs/dbraw/zinc/08/56/32/1064085632.db2.gz BQURILYSJFPSFR-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494018489 1064085641 /nfs/dbraw/zinc/08/56/41/1064085641.db2.gz BQURILYSJFPSFR-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001494018489 1064085651 /nfs/dbraw/zinc/08/56/51/1064085651.db2.gz BQURILYSJFPSFR-BZUAXINKSA-N 2 2 316.449 2.308 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001567741605 1064397076 /nfs/dbraw/zinc/39/70/76/1064397076.db2.gz HKFZMYYFXOIZKX-HNNXBMFYSA-N 2 2 318.465 2.434 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001567741605 1064397086 /nfs/dbraw/zinc/39/70/86/1064397086.db2.gz HKFZMYYFXOIZKX-HNNXBMFYSA-N 2 2 318.465 2.434 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001494924463 1064579746 /nfs/dbraw/zinc/57/97/46/1064579746.db2.gz GTDHFYVBNZSMHX-HOTGVXAUSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001494924463 1064579758 /nfs/dbraw/zinc/57/97/58/1064579758.db2.gz GTDHFYVBNZSMHX-HOTGVXAUSA-N 2 2 304.438 2.161 20 30 DEEDLP C#CCC[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001568020237 1064598462 /nfs/dbraw/zinc/59/84/62/1064598462.db2.gz SLWRMRUZQHSSEW-IBGZPJMESA-N 2 2 324.428 2.154 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001568064577 1064628606 /nfs/dbraw/zinc/62/86/06/1064628606.db2.gz ZYGUPIAEOBKOBG-QGZVFWFLSA-N 2 2 318.465 2.458 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001569166695 1065334234 /nfs/dbraw/zinc/33/42/34/1065334234.db2.gz XEWHFDVUCLVTKK-ZBFHGGJFSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001569166695 1065334245 /nfs/dbraw/zinc/33/42/45/1065334245.db2.gz XEWHFDVUCLVTKK-ZBFHGGJFSA-N 2 2 304.438 2.183 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001570015561 1065883125 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20 30 DEEDLP C=C(C)C[N@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481138821 1079244617 /nfs/dbraw/zinc/24/46/17/1079244617.db2.gz LPNDZFPZMPYPDV-UHFFFAOYSA-N 2 2 318.465 2.166 20 30 DEEDLP C=C(C)C[N@@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481138821 1079244623 /nfs/dbraw/zinc/24/46/23/1079244623.db2.gz LPNDZFPZMPYPDV-UHFFFAOYSA-N 2 2 318.465 2.166 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001484061737 1079281132 /nfs/dbraw/zinc/28/11/32/1079281132.db2.gz PCNAIWVDPNLOTM-INIZCTEOSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484061737 1079281141 /nfs/dbraw/zinc/28/11/41/1079281141.db2.gz PCNAIWVDPNLOTM-INIZCTEOSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484061737 1079281149 /nfs/dbraw/zinc/28/11/49/1079281149.db2.gz PCNAIWVDPNLOTM-INIZCTEOSA-N 2 2 315.889 2.297 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267773385 1079482410 /nfs/dbraw/zinc/48/24/10/1079482410.db2.gz MPDWVNVQFLFFCN-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267773385 1079482413 /nfs/dbraw/zinc/48/24/13/1079482413.db2.gz MPDWVNVQFLFFCN-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267773385 1079482415 /nfs/dbraw/zinc/48/24/15/1079482415.db2.gz MPDWVNVQFLFFCN-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267773385 1079482418 /nfs/dbraw/zinc/48/24/18/1079482418.db2.gz MPDWVNVQFLFFCN-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001267958602 1079638826 /nfs/dbraw/zinc/63/88/26/1079638826.db2.gz SOAQUHOFMIGYGJ-MRXNPFEDSA-N 2 2 317.433 2.180 20 30 DEEDLP C#CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001481352924 1079747080 /nfs/dbraw/zinc/74/70/80/1079747080.db2.gz RLOKIPSECXJXPG-UHFFFAOYSA-N 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318.465 2.242 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265587017 1144715664 /nfs/dbraw/zinc/71/56/64/1144715664.db2.gz UABSZYLLYSQIJZ-OAHLLOKOSA-N 2 2 317.433 2.037 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265587017 1144715666 /nfs/dbraw/zinc/71/56/66/1144715666.db2.gz UABSZYLLYSQIJZ-OAHLLOKOSA-N 2 2 317.433 2.037 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265675687 1144726062 /nfs/dbraw/zinc/72/60/62/1144726062.db2.gz MZWKQJOHUWADDB-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C#CC[NH2+]C[C@H](CCCC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001282647532 1145108739 /nfs/dbraw/zinc/10/87/39/1145108739.db2.gz JIIDWXYQQTVIQY-KRWDZBQOSA-N 2 2 324.428 2.384 20 30 DEEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001282834917 1145174752 /nfs/dbraw/zinc/17/47/52/1145174752.db2.gz WTQBDVILYZLQFD-SJORKVTESA-N 2 2 315.461 2.302 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001282834917 1145174756 /nfs/dbraw/zinc/17/47/56/1145174756.db2.gz WTQBDVILYZLQFD-SJORKVTESA-N 2 2 315.461 2.302 20 30 DEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001284692822 1145891493 /nfs/dbraw/zinc/89/14/93/1145891493.db2.gz CMCPZTRESSMYRJ-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317503478 1147535530 /nfs/dbraw/zinc/53/55/30/1147535530.db2.gz NXOYPGGZGYIDFT-OAHLLOKOSA-N 2 2 304.438 2.083 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001316944421 1147636761 /nfs/dbraw/zinc/63/67/61/1147636761.db2.gz QRJGXQJTXWPDPX-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001316944421 1147636763 /nfs/dbraw/zinc/63/67/63/1147636763.db2.gz QRJGXQJTXWPDPX-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001316944421 1147636766 /nfs/dbraw/zinc/63/67/66/1147636766.db2.gz QRJGXQJTXWPDPX-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001316944421 1147636767 /nfs/dbraw/zinc/63/67/67/1147636767.db2.gz QRJGXQJTXWPDPX-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317113957 1147661266 /nfs/dbraw/zinc/66/12/66/1147661266.db2.gz ADQZETIJZXCLDR-QXSJWSMHSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317217969 1147678930 /nfs/dbraw/zinc/67/89/30/1147678930.db2.gz YSNVAIILEPJKQV-QQFBHYJXSA-N 2 2 316.449 2.039 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318257518 1147805386 /nfs/dbraw/zinc/80/53/86/1147805386.db2.gz MYTUOSCXODNSJH-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318257518 1147805387 /nfs/dbraw/zinc/80/53/87/1147805387.db2.gz MYTUOSCXODNSJH-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001318257518 1147805388 /nfs/dbraw/zinc/80/53/88/1147805388.db2.gz MYTUOSCXODNSJH-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001318257518 1147805390 /nfs/dbraw/zinc/80/53/90/1147805390.db2.gz MYTUOSCXODNSJH-IRXDYDNUSA-N 2 2 319.493 2.101 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001324739179 1147838236 /nfs/dbraw/zinc/83/82/36/1147838236.db2.gz WXPVTUTVCQSEEN-KRWDZBQOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324739179 1147838238 /nfs/dbraw/zinc/83/82/38/1147838238.db2.gz WXPVTUTVCQSEEN-KRWDZBQOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001325430189 1147907129 /nfs/dbraw/zinc/90/71/29/1147907129.db2.gz WNOKIQSTXYWXAQ-HUUCEWRRSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001368223476 1148341088 /nfs/dbraw/zinc/34/10/88/1148341088.db2.gz GIDMVDBBWBTSSA-MRXNPFEDSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001368223476 1148341097 /nfs/dbraw/zinc/34/10/97/1148341097.db2.gz GIDMVDBBWBTSSA-MRXNPFEDSA-N 2 2 324.856 2.162 20 30 DEEDLP CN1CC[NH+]=C1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262661188 529778606 /nfs/dbraw/zinc/77/86/06/529778606.db2.gz MYXCQVPRYPDFMD-HNNXBMFYSA-N 2 2 306.841 2.368 20 30 DEEDLP N#CCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595471869 358457803 /nfs/dbraw/zinc/45/78/03/358457803.db2.gz FSXQGZYWTFJTNK-IBGZPJMESA-N 2 2 313.445 2.439 20 30 DEEDLP N#CCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595471869 358457806 /nfs/dbraw/zinc/45/78/06/358457806.db2.gz FSXQGZYWTFJTNK-IBGZPJMESA-N 2 2 313.445 2.439 20 30 DEEDLP CC(C)CC[N@H+](CCC#N)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000072691083 191215773 /nfs/dbraw/zinc/21/57/73/191215773.db2.gz YAFPOARYYAHRTK-UHFFFAOYSA-N 2 2 322.497 2.237 20 30 DEEDLP CC(C)CC[N@@H+](CCC#N)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000072691083 191215777 /nfs/dbraw/zinc/21/57/77/191215777.db2.gz YAFPOARYYAHRTK-UHFFFAOYSA-N 2 2 322.497 2.237 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccc2[nH+]1 ZINC000328610851 539908670 /nfs/dbraw/zinc/90/86/70/539908670.db2.gz OASXGIRHVIWGMV-HNNXBMFYSA-N 2 2 311.389 2.134 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(n2cc[nH+]c2)CC1 ZINC000329209867 539915283 /nfs/dbraw/zinc/91/52/83/539915283.db2.gz YPNXCWZIDGYGFY-HZPDHXFCSA-N 2 2 317.437 2.061 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(n2cc[nH+]c2)CC1 ZINC000329209867 539915288 /nfs/dbraw/zinc/91/52/88/539915288.db2.gz YPNXCWZIDGYGFY-HZPDHXFCSA-N 2 2 317.437 2.061 20 30 DEEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000173619292 198232444 /nfs/dbraw/zinc/23/24/44/198232444.db2.gz UYEDCSBCETTXMI-CQSZACIVSA-N 2 2 314.433 2.348 20 30 DEEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000052868624 354415187 /nfs/dbraw/zinc/41/51/87/354415187.db2.gz ZBHGTRWVNPZTHN-UHFFFAOYSA-N 2 2 319.474 2.066 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959039 355396298 /nfs/dbraw/zinc/39/62/98/355396298.db2.gz YGWXYRCTGIWYNW-HNNXBMFYSA-N 2 2 323.400 2.490 20 30 DEEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959039 355396303 /nfs/dbraw/zinc/39/63/03/355396303.db2.gz YGWXYRCTGIWYNW-HNNXBMFYSA-N 2 2 323.400 2.490 20 30 DEEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000579701882 357017360 /nfs/dbraw/zinc/01/73/60/357017360.db2.gz OBKRMBBDDNDGFP-KMFMINBZSA-N 2 2 316.424 2.254 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000598608210 359260374 /nfs/dbraw/zinc/26/03/74/359260374.db2.gz UEBIIUOCNODSGU-CABCVRRESA-N 2 2 316.449 2.309 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000598608210 359260380 /nfs/dbraw/zinc/26/03/80/359260380.db2.gz UEBIIUOCNODSGU-CABCVRRESA-N 2 2 316.449 2.309 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000598608216 359260502 /nfs/dbraw/zinc/26/05/02/359260502.db2.gz UEBIIUOCNODSGU-LSDHHAIUSA-N 2 2 316.449 2.309 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000598608216 359260507 /nfs/dbraw/zinc/26/05/07/359260507.db2.gz UEBIIUOCNODSGU-LSDHHAIUSA-N 2 2 316.449 2.309 20 30 DEEDLP C[C@@H](C#N)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000600143760 359662496 /nfs/dbraw/zinc/66/24/96/359662496.db2.gz FXJRXLAVXITTDE-ZDUSSCGKSA-N 2 2 306.841 2.341 20 30 DEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000602565099 360435377 /nfs/dbraw/zinc/43/53/77/360435377.db2.gz PNYBLQPTGSFAIX-HOCLYGCPSA-N 2 2 311.495 2.112 20 30 DEEDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000305858527 145348772 /nfs/dbraw/zinc/34/87/72/145348772.db2.gz WUAXHFVHZQBIGF-PBHICJAKSA-N 2 2 319.424 2.441 20 30 DEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccoc1 ZINC000176318937 402299596 /nfs/dbraw/zinc/29/95/96/402299596.db2.gz UXYSBAVLQIXGIT-UHFFFAOYSA-N 2 2 318.446 2.064 20 30 DEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccoc1 ZINC000176318937 402299597 /nfs/dbraw/zinc/29/95/97/402299597.db2.gz UXYSBAVLQIXGIT-UHFFFAOYSA-N 2 2 318.446 2.064 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266941493 403001590 /nfs/dbraw/zinc/00/15/90/403001590.db2.gz RKYOPCNBAGXERL-HIFRSBDPSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266941493 403001592 /nfs/dbraw/zinc/00/15/92/403001592.db2.gz RKYOPCNBAGXERL-HIFRSBDPSA-N 2 2 323.400 2.488 20 30 DEEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1[nH+]cnc2[nH]ccc21 ZINC000268349634 403075960 /nfs/dbraw/zinc/07/59/60/403075960.db2.gz UPKHXZIPBZUXQS-UHFFFAOYSA-N 2 2 320.400 2.398 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277722990 403249659 /nfs/dbraw/zinc/24/96/59/403249659.db2.gz JFTKYRPGZKTVQJ-KRWDZBQOSA-N 2 2 316.445 2.289 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277722990 403249662 /nfs/dbraw/zinc/24/96/62/403249662.db2.gz JFTKYRPGZKTVQJ-KRWDZBQOSA-N 2 2 316.445 2.289 20 30 DEEDLP C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346315510 403584432 /nfs/dbraw/zinc/58/44/32/403584432.db2.gz SRFQRNYRLYCAGW-HNNXBMFYSA-N 2 2 321.490 2.289 20 30 DEEDLP C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346315510 403584434 /nfs/dbraw/zinc/58/44/34/403584434.db2.gz SRFQRNYRLYCAGW-HNNXBMFYSA-N 2 2 321.490 2.289 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC[NH+]2CCCCC2)cc1 ZINC000288457577 403754835 /nfs/dbraw/zinc/75/48/35/403754835.db2.gz GCQGIPXDALWJJO-UHFFFAOYSA-N 3 2 318.465 2.261 20 30 DEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290096986 404039108 /nfs/dbraw/zinc/03/91/08/404039108.db2.gz WISTXTWGMFPGEZ-KRWDZBQOSA-N 2 2 304.434 2.138 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290096986 404039112 /nfs/dbraw/zinc/03/91/12/404039112.db2.gz WISTXTWGMFPGEZ-KRWDZBQOSA-N 2 2 304.434 2.138 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290096986 404039117 /nfs/dbraw/zinc/03/91/17/404039117.db2.gz WISTXTWGMFPGEZ-KRWDZBQOSA-N 2 2 304.434 2.138 20 30 DEEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000328845431 404161850 /nfs/dbraw/zinc/16/18/50/404161850.db2.gz RQIYTYZUCYDARP-UHFFFAOYSA-N 2 2 319.453 2.079 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000342609940 404677820 /nfs/dbraw/zinc/67/78/20/404677820.db2.gz WRQQQPWLGQUZDG-UHFFFAOYSA-N 2 2 323.400 2.490 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230927 404776561 /nfs/dbraw/zinc/77/65/61/404776561.db2.gz CWKLPXXEEKBQMH-WDYCEAGBSA-N 2 2 314.429 2.212 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230927 404776564 /nfs/dbraw/zinc/77/65/64/404776564.db2.gz CWKLPXXEEKBQMH-WDYCEAGBSA-N 2 2 314.429 2.212 20 30 DEEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000439003181 405262147 /nfs/dbraw/zinc/26/21/47/405262147.db2.gz PXUCVIXJNFLXMW-SJORKVTESA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000439003181 405262149 /nfs/dbraw/zinc/26/21/49/405262149.db2.gz PXUCVIXJNFLXMW-SJORKVTESA-N 2 2 307.482 2.264 20 30 DEEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Cl ZINC000439436477 405278633 /nfs/dbraw/zinc/27/86/33/405278633.db2.gz HPCDHKZJNAUMIT-UHFFFAOYSA-N 2 2 320.868 2.281 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430964445 405549129 /nfs/dbraw/zinc/54/91/29/405549129.db2.gz YXGQIOAGVPVKBS-IJEWVQPXSA-N 2 2 321.490 2.320 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430964445 405549132 /nfs/dbraw/zinc/54/91/32/405549132.db2.gz YXGQIOAGVPVKBS-IJEWVQPXSA-N 2 2 321.490 2.320 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)n2c1 ZINC000449552724 405610323 /nfs/dbraw/zinc/61/03/23/405610323.db2.gz JWEOLLKWAQOLCD-BFYDXBDKSA-N 2 2 310.401 2.189 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)n2c1 ZINC000449552724 405610335 /nfs/dbraw/zinc/61/03/35/405610335.db2.gz JWEOLLKWAQOLCD-BFYDXBDKSA-N 2 2 310.401 2.189 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000491635833 406643294 /nfs/dbraw/zinc/64/32/94/406643294.db2.gz URCTUXCYTKKVTC-GOSISDBHSA-N 2 2 314.408 2.193 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000491635833 406643297 /nfs/dbraw/zinc/64/32/97/406643297.db2.gz URCTUXCYTKKVTC-GOSISDBHSA-N 2 2 314.408 2.193 20 30 DEEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000644514890 407133615 /nfs/dbraw/zinc/13/36/15/407133615.db2.gz GFZJOISQLHVXFW-FQEVSTJZSA-N 2 2 308.425 2.121 20 30 DEEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000644514890 407133617 /nfs/dbraw/zinc/13/36/17/407133617.db2.gz GFZJOISQLHVXFW-FQEVSTJZSA-N 2 2 308.425 2.121 20 30 DEEDLP C=C(C)COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccc1OC ZINC000131365726 196162413 /nfs/dbraw/zinc/16/24/13/196162413.db2.gz WCCFWPKWIHNEPM-GOSISDBHSA-N 2 2 322.449 2.052 20 30 DEEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)Nc1cc(F)ccc1F ZINC000262297048 225267641 /nfs/dbraw/zinc/26/76/41/225267641.db2.gz OZQQKATVBLGMOQ-UHFFFAOYSA-N 2 2 305.332 2.424 20 30 DEEDLP C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648926452 424929659 /nfs/dbraw/zinc/92/96/59/424929659.db2.gz XCWJEPPWCVGZMC-MRXNPFEDSA-N 2 2 319.493 2.408 20 30 DEEDLP C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648926452 424929661 /nfs/dbraw/zinc/92/96/61/424929661.db2.gz XCWJEPPWCVGZMC-MRXNPFEDSA-N 2 2 319.493 2.408 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655711543 425635797 /nfs/dbraw/zinc/63/57/97/425635797.db2.gz HNESVAYSVBXOHD-LJQANCHMSA-N 3 2 321.509 2.260 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655711543 425635800 /nfs/dbraw/zinc/63/58/00/425635800.db2.gz HNESVAYSVBXOHD-LJQANCHMSA-N 2 2 321.509 2.260 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001378191290 1152204229 /nfs/dbraw/zinc/20/42/29/1152204229.db2.gz SVSVCUKDYDFVGX-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001378191290 1152204234 /nfs/dbraw/zinc/20/42/34/1152204234.db2.gz SVSVCUKDYDFVGX-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001378191290 1152204239 /nfs/dbraw/zinc/20/42/39/1152204239.db2.gz SVSVCUKDYDFVGX-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001378191290 1152204243 /nfs/dbraw/zinc/20/42/43/1152204243.db2.gz SVSVCUKDYDFVGX-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c2cc1C ZINC000268293737 534137551 /nfs/dbraw/zinc/13/75/51/534137551.db2.gz KCKLKJXVBPKLQW-LSDHHAIUSA-N 2 2 300.406 2.248 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)CC#N)c2cc1C ZINC000268293737 534137562 /nfs/dbraw/zinc/13/75/62/534137562.db2.gz KCKLKJXVBPKLQW-LSDHHAIUSA-N 2 2 300.406 2.248 20 30 DEEDLP N#CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000337428569 534718308 /nfs/dbraw/zinc/71/83/08/534718308.db2.gz AGIXMBFZJZEILJ-IBGZPJMESA-N 2 2 313.445 2.297 20 30 DEEDLP N#CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000337428569 534718314 /nfs/dbraw/zinc/71/83/14/534718314.db2.gz AGIXMBFZJZEILJ-IBGZPJMESA-N 2 2 313.445 2.297 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001378929526 1152494469 /nfs/dbraw/zinc/49/44/69/1152494469.db2.gz WUNGDJUIXOHBKD-GXTWGEPZSA-N 2 2 324.856 2.230 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001378929531 1152494626 /nfs/dbraw/zinc/49/46/26/1152494626.db2.gz WUNGDJUIXOHBKD-OCCSQVGLSA-N 2 2 324.856 2.230 20 30 DEEDLP Cc1csc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000267995484 534820627 /nfs/dbraw/zinc/82/06/27/534820627.db2.gz LBVKONXQUZWDEX-UHFFFAOYSA-N 2 2 304.419 2.350 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124242700 526152782 /nfs/dbraw/zinc/15/27/82/526152782.db2.gz XUXXFTIDMSSISO-CQSZACIVSA-N 2 2 311.389 2.104 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124242700 526152793 /nfs/dbraw/zinc/15/27/93/526152793.db2.gz XUXXFTIDMSSISO-CQSZACIVSA-N 2 2 311.389 2.104 20 30 DEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CCCC1 ZINC000262107189 526369449 /nfs/dbraw/zinc/36/94/49/526369449.db2.gz JTVDMLZGNUGWDA-CYBMUJFWSA-N 2 2 306.479 2.166 20 30 DEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CCCC1 ZINC000262107189 526369453 /nfs/dbraw/zinc/36/94/53/526369453.db2.gz JTVDMLZGNUGWDA-CYBMUJFWSA-N 2 2 306.479 2.166 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245589775 527633448 /nfs/dbraw/zinc/63/34/48/527633448.db2.gz KKEPMLANDZVWEQ-IXDOHACOSA-N 2 2 316.449 2.355 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245589775 527633451 /nfs/dbraw/zinc/63/34/51/527633451.db2.gz KKEPMLANDZVWEQ-IXDOHACOSA-N 2 2 316.449 2.355 20 30 DEEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972656216 625411322 /nfs/dbraw/zinc/41/13/22/625411322.db2.gz HTVZFNFNCQVBRO-QGZVFWFLSA-N 2 2 310.401 2.205 20 30 DEEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972656216 625411324 /nfs/dbraw/zinc/41/13/24/625411324.db2.gz HTVZFNFNCQVBRO-QGZVFWFLSA-N 2 2 310.401 2.205 20 30 DEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000998771569 634400705 /nfs/dbraw/zinc/40/07/05/634400705.db2.gz YGPDNEIRDYXOEO-UHFFFAOYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947539650 625152710 /nfs/dbraw/zinc/15/27/10/625152710.db2.gz FGBFPQLUZNVFSD-HUUCEWRRSA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947539650 625152712 /nfs/dbraw/zinc/15/27/12/625152712.db2.gz FGBFPQLUZNVFSD-HUUCEWRRSA-N 2 2 312.417 2.493 20 30 DEEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462181 625789034 /nfs/dbraw/zinc/78/90/34/625789034.db2.gz PGDNOXBXVSJKTH-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462181 625789038 /nfs/dbraw/zinc/78/90/38/625789038.db2.gz PGDNOXBXVSJKTH-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000162569 634772820 /nfs/dbraw/zinc/77/28/20/634772820.db2.gz YGFSGGXHHYXOFO-STQMWFEESA-N 2 2 322.840 2.163 20 30 DEEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581124 633162100 /nfs/dbraw/zinc/16/21/00/633162100.db2.gz FEFKAMLHUSUGPQ-MRXNPFEDSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974647109 633193490 /nfs/dbraw/zinc/19/34/90/633193490.db2.gz QWNRMCRHZHFAAJ-AWEZNQCLSA-N 2 2 321.490 2.436 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974647109 633193494 /nfs/dbraw/zinc/19/34/94/633193494.db2.gz QWNRMCRHZHFAAJ-AWEZNQCLSA-N 2 2 321.490 2.436 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048490 633398472 /nfs/dbraw/zinc/39/84/72/633398472.db2.gz IORFZUQSLVXIJF-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048490 633398477 /nfs/dbraw/zinc/39/84/77/633398477.db2.gz IORFZUQSLVXIJF-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048490 633398483 /nfs/dbraw/zinc/39/84/83/633398483.db2.gz IORFZUQSLVXIJF-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048490 633398489 /nfs/dbraw/zinc/39/84/89/633398489.db2.gz IORFZUQSLVXIJF-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997043852 633564414 /nfs/dbraw/zinc/56/44/14/633564414.db2.gz BXXKJDKIDRCBLH-CYBMUJFWSA-N 2 2 310.829 2.167 20 30 DEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997631104 633904869 /nfs/dbraw/zinc/90/48/69/633904869.db2.gz RXJUSFFBZSDTSR-NUEKZKHPSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000997631104 633904872 /nfs/dbraw/zinc/90/48/72/633904872.db2.gz RXJUSFFBZSDTSR-NUEKZKHPSA-N 2 2 316.449 2.306 20 30 DEEDLP C#CCC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000685894 635265310 /nfs/dbraw/zinc/26/53/10/635265310.db2.gz NBMMNIIKYFNBTR-UHFFFAOYSA-N 2 2 322.412 2.028 20 30 DEEDLP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000685894 635265314 /nfs/dbraw/zinc/26/53/14/635265314.db2.gz NBMMNIIKYFNBTR-UHFFFAOYSA-N 2 2 322.412 2.028 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001003134223 635912622 /nfs/dbraw/zinc/91/26/22/635912622.db2.gz OMNZKDRQMOZYOQ-UHFFFAOYSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005710128 636825706 /nfs/dbraw/zinc/82/57/06/636825706.db2.gz AOKHLGNLUYWMCL-UHFFFAOYSA-N 2 2 312.417 2.447 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000894863621 637272150 /nfs/dbraw/zinc/27/21/50/637272150.db2.gz NWKIPXLICODTOW-UHFFFAOYSA-N 2 2 308.809 2.171 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000894863621 637272153 /nfs/dbraw/zinc/27/21/53/637272153.db2.gz NWKIPXLICODTOW-UHFFFAOYSA-N 2 2 308.809 2.171 20 30 DEEDLP N#Cc1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000748099122 638509331 /nfs/dbraw/zinc/50/93/31/638509331.db2.gz FJEMGCZEMQFAPT-HNNXBMFYSA-N 2 2 305.447 2.353 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988841888 640672766 /nfs/dbraw/zinc/67/27/66/640672766.db2.gz CLPGUNDPFIODFD-XJKSGUPXSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000764661995 640673995 /nfs/dbraw/zinc/67/39/95/640673995.db2.gz ZLNKAHBPKUPZGP-CQSZACIVSA-N 2 2 307.463 2.071 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000783292316 642993310 /nfs/dbraw/zinc/99/33/10/642993310.db2.gz AEIAYLXPEPLDDS-DNVCBOLYSA-N 2 2 321.428 2.348 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000783292316 642993316 /nfs/dbraw/zinc/99/33/16/642993316.db2.gz AEIAYLXPEPLDDS-DNVCBOLYSA-N 2 2 321.428 2.348 20 30 DEEDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C#N)ccn1 ZINC000902801607 643141998 /nfs/dbraw/zinc/14/19/98/643141998.db2.gz CBASVDJVHMENMR-RHSMWYFYSA-N 2 2 314.433 2.247 20 30 DEEDLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000905580929 643965048 /nfs/dbraw/zinc/96/50/48/643965048.db2.gz QQZWQGOEJNOSHM-HXUWFJFHSA-N 2 2 323.440 2.449 20 30 DEEDLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC000905580929 643965053 /nfs/dbraw/zinc/96/50/53/643965053.db2.gz QQZWQGOEJNOSHM-HXUWFJFHSA-N 2 2 323.440 2.449 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991863611 646673431 /nfs/dbraw/zinc/67/34/31/646673431.db2.gz RWBIWSBIFUEEED-ZBFHGGJFSA-N 2 2 322.840 2.057 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991863611 646673433 /nfs/dbraw/zinc/67/34/33/646673433.db2.gz RWBIWSBIFUEEED-ZBFHGGJFSA-N 2 2 322.840 2.057 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993358125 647626210 /nfs/dbraw/zinc/62/62/10/647626210.db2.gz YOEFKZURLHXHHI-ZBFHGGJFSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993358125 647626211 /nfs/dbraw/zinc/62/62/11/647626211.db2.gz YOEFKZURLHXHHI-ZBFHGGJFSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053500 649143913 /nfs/dbraw/zinc/14/39/13/649143913.db2.gz QCRYNTNPZQQIRL-CJNGLKHVSA-N 2 2 312.417 2.269 20 30 DEEDLP 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324.428 2.448 20 30 DEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204333 690059986 /nfs/dbraw/zinc/05/99/86/690059986.db2.gz FMJQJJWSUJZQRF-UHFFFAOYSA-N 2 2 324.428 2.448 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036749716 690457880 /nfs/dbraw/zinc/45/78/80/690457880.db2.gz AZJLYXHFTQPTRT-KDOFPFPSSA-N 2 2 322.412 2.123 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036749716 690457882 /nfs/dbraw/zinc/45/78/82/690457882.db2.gz AZJLYXHFTQPTRT-KDOFPFPSSA-N 2 2 322.412 2.123 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037842174 690621330 /nfs/dbraw/zinc/62/13/30/690621330.db2.gz SRWCNLJTVQRWFX-ZIAGYGMSSA-N 2 2 324.856 2.312 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039120075 691025779 /nfs/dbraw/zinc/02/57/79/691025779.db2.gz HFCNWRNUZWWJOI-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP 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/nfs/dbraw/zinc/44/15/02/694441502.db2.gz CEFICMKQJFOXCJ-ROUUACIJSA-N 2 2 311.429 2.165 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000931619813 694441503 /nfs/dbraw/zinc/44/15/03/694441503.db2.gz CEFICMKQJFOXCJ-ROUUACIJSA-N 2 2 311.429 2.165 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000931619813 694441505 /nfs/dbraw/zinc/44/15/05/694441505.db2.gz CEFICMKQJFOXCJ-ROUUACIJSA-N 2 2 311.429 2.165 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041350661 691365340 /nfs/dbraw/zinc/36/53/40/691365340.db2.gz WQMGSQNYNMUSID-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041350661 691365342 /nfs/dbraw/zinc/36/53/42/691365342.db2.gz WQMGSQNYNMUSID-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041350661 691365345 /nfs/dbraw/zinc/36/53/45/691365345.db2.gz WQMGSQNYNMUSID-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041350661 691365348 /nfs/dbraw/zinc/36/53/48/691365348.db2.gz WQMGSQNYNMUSID-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(Br)cn1 ZINC000883131352 691436648 /nfs/dbraw/zinc/43/66/48/691436648.db2.gz XNFBDPBHZQROFM-UHFFFAOYSA-N 2 2 310.239 2.197 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(Br)cn1 ZINC000883131352 691436651 /nfs/dbraw/zinc/43/66/51/691436651.db2.gz XNFBDPBHZQROFM-UHFFFAOYSA-N 2 2 310.239 2.197 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315069 691567402 /nfs/dbraw/zinc/56/74/02/691567402.db2.gz ZHIDRAUWLAXJEB-HUUCEWRRSA-N 2 2 316.449 2.186 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315069 691567404 /nfs/dbraw/zinc/56/74/04/691567404.db2.gz ZHIDRAUWLAXJEB-HUUCEWRRSA-N 2 2 316.449 2.186 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612609 692238221 /nfs/dbraw/zinc/23/82/21/692238221.db2.gz RVNUVPISKLPTPU-KSSFIOAISA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612609 692238225 /nfs/dbraw/zinc/23/82/25/692238225.db2.gz RVNUVPISKLPTPU-KSSFIOAISA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001047264905 692404925 /nfs/dbraw/zinc/40/49/25/692404925.db2.gz BQFRGZLINOHRNP-KRWDZBQOSA-N 2 2 316.449 2.020 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553499 692919633 /nfs/dbraw/zinc/91/96/33/692919633.db2.gz VLRZHFODOOBKPR-ZWKOTPCHSA-N 2 2 322.412 2.265 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553499 692919634 /nfs/dbraw/zinc/91/96/34/692919634.db2.gz VLRZHFODOOBKPR-ZWKOTPCHSA-N 2 2 322.412 2.265 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627018 692945272 /nfs/dbraw/zinc/94/52/72/692945272.db2.gz URZFRRBGJBOYMR-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627018 692945276 /nfs/dbraw/zinc/94/52/76/692945276.db2.gz URZFRRBGJBOYMR-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104318 693689824 /nfs/dbraw/zinc/68/98/24/693689824.db2.gz ODTGETSHXXKWLG-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104318 693689827 /nfs/dbraw/zinc/68/98/27/693689827.db2.gz ODTGETSHXXKWLG-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001380449549 1152813929 /nfs/dbraw/zinc/81/39/29/1152813929.db2.gz MWZQQFACOSPXQM-UHFFFAOYSA-N 2 2 324.856 2.244 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001403109716 1162727975 /nfs/dbraw/zinc/72/79/75/1162727975.db2.gz CVQMZVBYTHWKDC-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001403109716 1162727989 /nfs/dbraw/zinc/72/79/89/1162727989.db2.gz CVQMZVBYTHWKDC-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001403109716 1162728002 /nfs/dbraw/zinc/72/80/02/1162728002.db2.gz CVQMZVBYTHWKDC-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001403109716 1162728014 /nfs/dbraw/zinc/72/80/14/1162728014.db2.gz CVQMZVBYTHWKDC-ZIAGYGMSSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001373948772 1157492369 /nfs/dbraw/zinc/49/23/69/1157492369.db2.gz CDIPVGSFXDNCOG-UHFFFAOYSA-N 2 2 324.856 2.231 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001375177302 1158369718 /nfs/dbraw/zinc/36/97/18/1158369718.db2.gz NYVBQUOKASZROU-DZGCQCFKSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001375177302 1158369726 /nfs/dbraw/zinc/36/97/26/1158369726.db2.gz NYVBQUOKASZROU-DZGCQCFKSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001377383696 1160311448 /nfs/dbraw/zinc/31/14/48/1160311448.db2.gz LZQKKFIAQHKCRB-GJZGRUSLSA-N 2 2 324.856 2.385 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001377383696 1160311458 /nfs/dbraw/zinc/31/14/58/1160311458.db2.gz LZQKKFIAQHKCRB-GJZGRUSLSA-N 2 2 324.856 2.385 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001403938589 1163313241 /nfs/dbraw/zinc/31/32/41/1163313241.db2.gz ZGHFKCXEGWPTPP-HNNXBMFYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001403938589 1163313248 /nfs/dbraw/zinc/31/32/48/1163313248.db2.gz ZGHFKCXEGWPTPP-HNNXBMFYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001403938589 1163313254 /nfs/dbraw/zinc/31/32/54/1163313254.db2.gz ZGHFKCXEGWPTPP-HNNXBMFYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001403938589 1163313264 /nfs/dbraw/zinc/31/32/64/1163313264.db2.gz ZGHFKCXEGWPTPP-HNNXBMFYSA-N 2 2 315.889 2.250 20 30 DEEDLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001434497930 1178674904 /nfs/dbraw/zinc/67/49/04/1178674904.db2.gz UEVZARFXPNTGTO-GOSISDBHSA-N 2 2 310.401 2.205 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001441913379 1182247276 /nfs/dbraw/zinc/24/72/76/1182247276.db2.gz XYHBKDWRDNSOSX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001441913379 1182247281 /nfs/dbraw/zinc/24/72/81/1182247281.db2.gz XYHBKDWRDNSOSX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001441913379 1182247285 /nfs/dbraw/zinc/24/72/85/1182247285.db2.gz XYHBKDWRDNSOSX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001441913379 1182247288 /nfs/dbraw/zinc/24/72/88/1182247288.db2.gz XYHBKDWRDNSOSX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310911 783043151 /nfs/dbraw/zinc/04/31/51/783043151.db2.gz VUWNBXLVSQNRAA-HNNXBMFYSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310911 783043153 /nfs/dbraw/zinc/04/31/53/783043153.db2.gz VUWNBXLVSQNRAA-HNNXBMFYSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548723 783197995 /nfs/dbraw/zinc/19/79/95/783197995.db2.gz PLSCEOYUURMVAL-OAHLLOKOSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548723 783198001 /nfs/dbraw/zinc/19/80/01/783198001.db2.gz PLSCEOYUURMVAL-OAHLLOKOSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422498 777015672 /nfs/dbraw/zinc/01/56/72/777015672.db2.gz RLLJFVVGDVFAMW-GFCCVEGCSA-N 2 2 324.856 2.217 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422498 777015678 /nfs/dbraw/zinc/01/56/78/777015678.db2.gz RLLJFVVGDVFAMW-GFCCVEGCSA-N 2 2 324.856 2.217 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)c(OC)c[nH+]1 ZINC001171070671 790555664 /nfs/dbraw/zinc/55/56/64/790555664.db2.gz HQAIAGKYTFVLQT-ZDUSSCGKSA-N 2 2 307.394 2.037 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001088305593 779930919 /nfs/dbraw/zinc/93/09/19/779930919.db2.gz DKNXVEBIQPZHMQ-HNNXBMFYSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001088386716 780057194 /nfs/dbraw/zinc/05/71/94/780057194.db2.gz WBRLCZRVUKDYHZ-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001088396027 780067775 /nfs/dbraw/zinc/06/77/75/780067775.db2.gz WLKMPCPAZMWFQL-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001088396027 780067784 /nfs/dbraw/zinc/06/77/84/780067784.db2.gz WLKMPCPAZMWFQL-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567105 780491771 /nfs/dbraw/zinc/49/17/71/780491771.db2.gz VAPDRBQKEMRBIZ-ZBFHGGJFSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567105 780491775 /nfs/dbraw/zinc/49/17/75/780491775.db2.gz VAPDRBQKEMRBIZ-ZBFHGGJFSA-N 2 2 312.417 2.411 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616373 783530652 /nfs/dbraw/zinc/53/06/52/783530652.db2.gz IJFHZNXRTRHVHI-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616373 783530659 /nfs/dbraw/zinc/53/06/59/783530659.db2.gz IJFHZNXRTRHVHI-INIZCTEOSA-N 2 2 324.428 2.284 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780573 784588338 /nfs/dbraw/zinc/58/83/38/784588338.db2.gz GOMDYVWOAMAZRZ-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780573 784588345 /nfs/dbraw/zinc/58/83/45/784588345.db2.gz GOMDYVWOAMAZRZ-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780573 784588352 /nfs/dbraw/zinc/58/83/52/784588352.db2.gz GOMDYVWOAMAZRZ-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780573 784588361 /nfs/dbraw/zinc/58/83/61/784588361.db2.gz GOMDYVWOAMAZRZ-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001169131394 785049484 /nfs/dbraw/zinc/04/94/84/785049484.db2.gz TWDZDLYODIOFHQ-VUHPKUFZSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001169131394 785049491 /nfs/dbraw/zinc/04/94/91/785049491.db2.gz TWDZDLYODIOFHQ-VUHPKUFZSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001169131394 785049492 /nfs/dbraw/zinc/04/94/92/785049492.db2.gz TWDZDLYODIOFHQ-VUHPKUFZSA-N 2 2 317.477 2.112 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001169131394 785049499 /nfs/dbraw/zinc/04/94/99/785049499.db2.gz TWDZDLYODIOFHQ-VUHPKUFZSA-N 2 2 317.477 2.112 20 30 DEEDLP C#C[C@@](C)(CC)Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001169693034 785307246 /nfs/dbraw/zinc/30/72/46/785307246.db2.gz SIPTUJSNKYRXTQ-KRWDZBQOSA-N 2 2 301.438 2.174 20 30 DEEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834399 785560593 /nfs/dbraw/zinc/56/05/93/785560593.db2.gz NAPFAAUOEFMCRG-BBWFWOEESA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112991391 786352370 /nfs/dbraw/zinc/35/23/70/786352370.db2.gz LEJWCYIQQJPXFE-INIZCTEOSA-N 2 2 304.438 2.191 20 30 DEEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC2C[NH+](C)C2)[nH+]1 ZINC001170253242 786889297 /nfs/dbraw/zinc/88/92/97/786889297.db2.gz JILLHMDVNMMALH-YISAHFMGSA-N 2 2 322.478 2.245 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221706 787979986 /nfs/dbraw/zinc/97/99/86/787979986.db2.gz MXWZJLCXLOTPEA-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221706 787979989 /nfs/dbraw/zinc/97/99/89/787979989.db2.gz MXWZJLCXLOTPEA-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132446323 788081774 /nfs/dbraw/zinc/08/17/74/788081774.db2.gz WVHZZKPOLAEPTJ-ZFWWWQNUSA-N 2 2 304.438 2.196 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132446323 788081779 /nfs/dbraw/zinc/08/17/79/788081779.db2.gz WVHZZKPOLAEPTJ-ZFWWWQNUSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546544 788120734 /nfs/dbraw/zinc/12/07/34/788120734.db2.gz NSRXOBLZBUXAFX-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546544 788120737 /nfs/dbraw/zinc/12/07/37/788120737.db2.gz NSRXOBLZBUXAFX-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875167 788215433 /nfs/dbraw/zinc/21/54/33/788215433.db2.gz UJRYITTZYQQPHX-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875167 788215434 /nfs/dbraw/zinc/21/54/34/788215434.db2.gz UJRYITTZYQQPHX-HOTGVXAUSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919949 788227811 /nfs/dbraw/zinc/22/78/11/788227811.db2.gz PBQWNGQBKZGPHX-ZBFHGGJFSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133364201 788386711 /nfs/dbraw/zinc/38/67/11/788386711.db2.gz SURQHXNXXDVLAD-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135309985 789284941 /nfs/dbraw/zinc/28/49/41/789284941.db2.gz QMXQJZCHTUEEOB-OAHLLOKOSA-N 2 2 314.433 2.246 20 30 DEEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609275 789811488 /nfs/dbraw/zinc/81/14/88/789811488.db2.gz IIZWJUJTKGXJFJ-DZGCQCFKSA-N 2 2 310.401 2.169 20 30 DEEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609275 789811494 /nfs/dbraw/zinc/81/14/94/789811494.db2.gz IIZWJUJTKGXJFJ-DZGCQCFKSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001074867856 791356740 /nfs/dbraw/zinc/35/67/40/791356740.db2.gz LRFLBWLZOCBRGG-AVGNSLFASA-N 2 2 322.840 2.161 20 30 DEEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@@H](C)CCCC#N)C2 ZINC001172497313 793437874 /nfs/dbraw/zinc/43/78/74/793437874.db2.gz AXPRUUKVIULDLV-HNNXBMFYSA-N 2 2 318.469 2.406 20 30 DEEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@@H](C)CCCC#N)C2 ZINC001172497313 793437878 /nfs/dbraw/zinc/43/78/78/793437878.db2.gz AXPRUUKVIULDLV-HNNXBMFYSA-N 2 2 318.469 2.406 20 30 DEEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172497313 793437883 /nfs/dbraw/zinc/43/78/83/793437883.db2.gz AXPRUUKVIULDLV-HNNXBMFYSA-N 2 2 318.469 2.406 20 30 DEEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001172497313 793437888 /nfs/dbraw/zinc/43/78/88/793437888.db2.gz AXPRUUKVIULDLV-HNNXBMFYSA-N 2 2 318.469 2.406 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001094935281 793478018 /nfs/dbraw/zinc/47/80/18/793478018.db2.gz RPYRTKWMRAJWRG-QEJZJMRPSA-N 2 2 322.840 2.064 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001094935281 793478022 /nfs/dbraw/zinc/47/80/22/793478022.db2.gz RPYRTKWMRAJWRG-QEJZJMRPSA-N 2 2 322.840 2.064 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512878 793635472 /nfs/dbraw/zinc/63/54/72/793635472.db2.gz ITDVIVUHVHUQIH-BZUAXINKSA-N 2 2 318.465 2.001 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512878 793635480 /nfs/dbraw/zinc/63/54/80/793635480.db2.gz ITDVIVUHVHUQIH-BZUAXINKSA-N 2 2 318.465 2.001 20 30 DEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503627 794227200 /nfs/dbraw/zinc/22/72/00/794227200.db2.gz RJPXHTPKBVNPKX-HZPDHXFCSA-N 2 2 304.438 2.122 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874850 794509720 /nfs/dbraw/zinc/50/97/20/794509720.db2.gz BLZJZYWOYAFWCX-DZKIICNBSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874850 794509725 /nfs/dbraw/zinc/50/97/25/794509725.db2.gz BLZJZYWOYAFWCX-DZKIICNBSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178854185 795012684 /nfs/dbraw/zinc/01/26/84/795012684.db2.gz XLXALPHOYURGRU-MRXNPFEDSA-N 2 2 318.465 2.288 20 30 DEEDLP C#CCC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009971 795048441 /nfs/dbraw/zinc/04/84/41/795048441.db2.gz SRGBXVKEZHQWBJ-UHFFFAOYSA-N 2 2 312.417 2.237 20 30 DEEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180287575 795274375 /nfs/dbraw/zinc/27/43/75/795274375.db2.gz AFJSGBAFAGRIHK-HOTGVXAUSA-N 2 2 306.454 2.433 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183576197 795894938 /nfs/dbraw/zinc/89/49/38/795894938.db2.gz FLCWCQNKOQLEIC-GOEBONIOSA-N 2 2 317.433 2.178 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184800759 796128707 /nfs/dbraw/zinc/12/87/07/796128707.db2.gz YUYKFHDMNVTFGN-JKSUJKDBSA-N 2 2 324.428 2.045 20 30 DEEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184853157 796130681 /nfs/dbraw/zinc/13/06/81/796130681.db2.gz YLDYTUGKHXIMMA-WMLDXEAASA-N 2 2 313.445 2.328 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202855038 796256175 /nfs/dbraw/zinc/25/61/75/796256175.db2.gz CFSFDOOAEZEJDS-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202855038 796256179 /nfs/dbraw/zinc/25/61/79/796256179.db2.gz CFSFDOOAEZEJDS-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185502347 796273405 /nfs/dbraw/zinc/27/34/05/796273405.db2.gz MANRMXBGFRGRDL-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382682 796815598 /nfs/dbraw/zinc/81/55/98/796815598.db2.gz PENSWOXNIXVXPS-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382682 796815601 /nfs/dbraw/zinc/81/56/01/796815601.db2.gz PENSWOXNIXVXPS-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382682 796815605 /nfs/dbraw/zinc/81/56/05/796815605.db2.gz PENSWOXNIXVXPS-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382682 796815608 /nfs/dbraw/zinc/81/56/08/796815608.db2.gz PENSWOXNIXVXPS-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190112075 796941053 /nfs/dbraw/zinc/94/10/53/796941053.db2.gz CNXMSFIPQKADML-HNNXBMFYSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190112075 796941055 /nfs/dbraw/zinc/94/10/55/796941055.db2.gz CNXMSFIPQKADML-HNNXBMFYSA-N 2 2 310.401 2.253 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618853 797212257 /nfs/dbraw/zinc/21/22/57/797212257.db2.gz SVQUYRBJHJSTAI-KRWDZBQOSA-N 2 2 320.481 2.361 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083178 797457710 /nfs/dbraw/zinc/45/77/10/797457710.db2.gz LDSAHLXJTYDSOK-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083178 797457713 /nfs/dbraw/zinc/45/77/13/797457713.db2.gz LDSAHLXJTYDSOK-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533853 798423157 /nfs/dbraw/zinc/42/31/57/798423157.db2.gz IOUXRWNGTXHSQY-DLBZAZTESA-N 2 2 316.449 2.170 20 30 DEEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533853 798423159 /nfs/dbraw/zinc/42/31/59/798423159.db2.gz IOUXRWNGTXHSQY-DLBZAZTESA-N 2 2 316.449 2.170 20 30 DEEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158534211 798423842 /nfs/dbraw/zinc/42/38/42/798423842.db2.gz RFMRSDMNFDCKMO-IAGOWNOFSA-N 2 2 316.449 2.170 20 30 DEEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158534211 798423843 /nfs/dbraw/zinc/42/38/43/798423843.db2.gz RFMRSDMNFDCKMO-IAGOWNOFSA-N 2 2 316.449 2.170 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571431 798430480 /nfs/dbraw/zinc/43/04/80/798430480.db2.gz IWAWKMOUOIBGJD-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571431 798430483 /nfs/dbraw/zinc/43/04/83/798430483.db2.gz IWAWKMOUOIBGJD-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571431 798430489 /nfs/dbraw/zinc/43/04/89/798430489.db2.gz IWAWKMOUOIBGJD-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571431 798430491 /nfs/dbraw/zinc/43/04/91/798430491.db2.gz IWAWKMOUOIBGJD-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200949429 798701686 /nfs/dbraw/zinc/70/16/86/798701686.db2.gz BLTCSVXJYHBBGQ-AWEZNQCLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200949429 798701688 /nfs/dbraw/zinc/70/16/88/798701688.db2.gz BLTCSVXJYHBBGQ-AWEZNQCLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160838861 798748865 /nfs/dbraw/zinc/74/88/65/798748865.db2.gz NCLYFQWGIFEHEK-CQSZACIVSA-N 2 2 305.422 2.083 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644421 798942576 /nfs/dbraw/zinc/94/25/76/798942576.db2.gz LQNOTCMCMXZSRJ-DZUCGIPZSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644421 798942580 /nfs/dbraw/zinc/94/25/80/798942580.db2.gz LQNOTCMCMXZSRJ-DZUCGIPZSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644421 798942585 /nfs/dbraw/zinc/94/25/85/798942585.db2.gz LQNOTCMCMXZSRJ-DZUCGIPZSA-N 2 2 316.449 2.419 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644421 798942590 /nfs/dbraw/zinc/94/25/90/798942590.db2.gz LQNOTCMCMXZSRJ-DZUCGIPZSA-N 2 2 316.449 2.419 20 30 DEEDLP N#Cc1c[nH]c2cc[nH+]c(Nc3ccc([C@H](C[NH3+])CO)cc3)c12 ZINC001163054010 799233056 /nfs/dbraw/zinc/23/30/56/799233056.db2.gz VFHPUCWZYRFEKA-CYBMUJFWSA-N 2 2 307.357 2.213 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678036 801045116 /nfs/dbraw/zinc/04/51/16/801045116.db2.gz DPNXUYODFMSOHJ-CVEARBPZSA-N 2 2 318.465 2.288 20 30 DEEDLP C#CC[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208939945 801098792 /nfs/dbraw/zinc/09/87/92/801098792.db2.gz MCONQOFBSQWBMO-HXUWFJFHSA-N 2 2 311.473 2.149 20 30 DEEDLP C#CC[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208939945 801098798 /nfs/dbraw/zinc/09/87/98/801098798.db2.gz MCONQOFBSQWBMO-HXUWFJFHSA-N 2 2 311.473 2.149 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229300541 801252696 /nfs/dbraw/zinc/25/26/96/801252696.db2.gz BCKXGMPBZVUIDD-RRFJBIMHSA-N 2 2 304.438 2.324 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209699465 801259334 /nfs/dbraw/zinc/25/93/34/801259334.db2.gz JXPANBNRUNSHDD-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865878 801297091 /nfs/dbraw/zinc/29/70/91/801297091.db2.gz LUENVQTYRSUSGG-HOTGVXAUSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052433 801327478 /nfs/dbraw/zinc/32/74/78/801327478.db2.gz NURJWZZIDKRNNW-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052433 801327486 /nfs/dbraw/zinc/32/74/86/801327486.db2.gz NURJWZZIDKRNNW-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210900645 801483085 /nfs/dbraw/zinc/48/30/85/801483085.db2.gz VOSBJSFXXVXOGF-CVEARBPZSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214631953 801742114 /nfs/dbraw/zinc/74/21/14/801742114.db2.gz CEFJBECJOTYRPH-CZUORRHYSA-N 2 2 312.417 2.269 20 30 DEEDLP N#Cc1ccnc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001232013703 801768096 /nfs/dbraw/zinc/76/80/96/801768096.db2.gz DGBRNKQQQUCBRQ-UHFFFAOYSA-N 2 2 318.384 2.152 20 30 DEEDLP C#C[C@](C)([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001218883560 802254129 /nfs/dbraw/zinc/25/41/29/802254129.db2.gz MNLHJVMLPQPYBX-SFHVURJKSA-N 2 2 310.401 2.344 20 30 DEEDLP N#Cc1ccc(F)c(F)c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219317172 802309261 /nfs/dbraw/zinc/30/92/61/802309261.db2.gz QKOASTFUQVLIPY-ZDUSSCGKSA-N 2 2 316.311 2.047 20 30 DEEDLP N#CCc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)ccc1F ZINC001219518568 802340101 /nfs/dbraw/zinc/34/01/01/802340101.db2.gz PYHNKLUFELVTBG-MRXNPFEDSA-N 2 2 312.348 2.103 20 30 DEEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099621 802643585 /nfs/dbraw/zinc/64/35/85/802643585.db2.gz ZFZZFDYWKDXRLN-INIZCTEOSA-N 2 2 306.454 2.434 20 30 DEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001223508092 802796010 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OJFNPEIKTJEUFW-HZPDHXFCSA-N 2 2 316.449 2.035 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001084445996 1090303357 /nfs/dbraw/zinc/30/33/57/1090303357.db2.gz OJFNPEIKTJEUFW-HZPDHXFCSA-N 2 2 316.449 2.035 20 30 DEEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001274296712 1091174136 /nfs/dbraw/zinc/17/41/36/1091174136.db2.gz FTEZCHLJPJERQO-JKSUJKDBSA-N 2 2 306.454 2.290 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001275815822 1092173401 /nfs/dbraw/zinc/17/34/01/1092173401.db2.gz ISNGZYMTYOJDQZ-RDJZCZTQSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001489044866 1092883561 /nfs/dbraw/zinc/88/35/61/1092883561.db2.gz UVHATJZCFKONPB-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001691736402 1138252837 /nfs/dbraw/zinc/25/28/37/1138252837.db2.gz SACBJNHMBNYKPE-MRXNPFEDSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001691736402 1138252839 /nfs/dbraw/zinc/25/28/39/1138252839.db2.gz SACBJNHMBNYKPE-MRXNPFEDSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001319696168 1140670496 /nfs/dbraw/zinc/67/04/96/1140670496.db2.gz IPAWKOQSAZXWQP-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320487509 1140870687 /nfs/dbraw/zinc/87/06/87/1140870687.db2.gz UCQUHIWOVSXJAT-AWEZNQCLSA-N 2 2 304.413 2.169 20 30 DEEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320487509 1140870694 /nfs/dbraw/zinc/87/06/94/1140870694.db2.gz UCQUHIWOVSXJAT-AWEZNQCLSA-N 2 2 304.413 2.169 20 30 DEEDLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359315 1140888254 /nfs/dbraw/zinc/88/82/54/1140888254.db2.gz AMYLCHZCLIPIKE-DNVCBOLYSA-N 2 2 312.461 2.253 20 30 DEEDLP C[C@@H]1CC[C@@H](NC2CC[NH+](Cc3ccccc3C#N)CC2)C[NH2+]1 ZINC001246359315 1140888256 /nfs/dbraw/zinc/88/82/56/1140888256.db2.gz AMYLCHZCLIPIKE-DNVCBOLYSA-N 2 2 312.461 2.253 20 30 DEEDLP N#C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246440404 1140899280 /nfs/dbraw/zinc/89/92/80/1140899280.db2.gz ZDGHRRFFQSRSNE-CVEARBPZSA-N 2 2 318.852 2.152 20 30 DEEDLP C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C(=O)OC)CC[NH2+][C@H]4C3)C[C@H](C1)C2 ZINC001246990528 1141224549 /nfs/dbraw/zinc/22/45/49/1141224549.db2.gz UKWZZWNDSABXJB-PVRFEJEDSA-N 2 2 318.461 2.348 20 30 DEEDLP C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C(=O)OC)CC[NH2+][C@H]4C3)C[C@H](C1)C2 ZINC001246990528 1141224569 /nfs/dbraw/zinc/22/45/69/1141224569.db2.gz UKWZZWNDSABXJB-PVRFEJEDSA-N 2 2 318.461 2.348 20 30 DEEDLP N#Cc1cc(F)cc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)c1 ZINC001247697860 1141426320 /nfs/dbraw/zinc/42/63/20/1141426320.db2.gz DDOOALCHMUWTFM-HNNXBMFYSA-N 2 2 323.331 2.373 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322582722 1141636913 /nfs/dbraw/zinc/63/69/13/1141636913.db2.gz VLEWFWFTFBSLNC-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c[nH+]c1N ZINC001249787022 1142026961 /nfs/dbraw/zinc/02/69/61/1142026961.db2.gz DDAAREYFNCGFGV-UHFFFAOYSA-N 2 2 322.416 2.339 20 30 DEEDLP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001252574809 1142768455 /nfs/dbraw/zinc/76/84/55/1142768455.db2.gz RGZGZCMPXCKAIL-GOSISDBHSA-N 2 2 304.434 2.186 20 30 DEEDLP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001252579592 1142770319 /nfs/dbraw/zinc/77/03/19/1142770319.db2.gz MVWNFKHZXAQHLD-GOSISDBHSA-N 2 2 304.434 2.186 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001265588230 1144715521 /nfs/dbraw/zinc/71/55/21/1144715521.db2.gz CEUWVYVXSXSKGR-INIZCTEOSA-N 2 2 304.438 2.068 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001265588230 1144715524 /nfs/dbraw/zinc/71/55/24/1144715524.db2.gz CEUWVYVXSXSKGR-INIZCTEOSA-N 2 2 304.438 2.068 20 30 DEEDLP C#CCC[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266065910 1144802050 /nfs/dbraw/zinc/80/20/50/1144802050.db2.gz MUKUOVQWRFVKEQ-UHFFFAOYSA-N 2 2 301.434 2.472 20 30 DEEDLP C#CCC[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266065910 1144802051 /nfs/dbraw/zinc/80/20/51/1144802051.db2.gz MUKUOVQWRFVKEQ-UHFFFAOYSA-N 2 2 301.434 2.472 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001282726757 1145148262 /nfs/dbraw/zinc/14/82/62/1145148262.db2.gz WVIQVYVBYJOMPN-GJZGRUSLSA-N 2 2 318.465 2.144 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283509582 1145485991 /nfs/dbraw/zinc/48/59/91/1145485991.db2.gz VLSICXISMROCHO-BFYDXBDKSA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283509582 1145485999 /nfs/dbraw/zinc/48/59/99/1145485999.db2.gz VLSICXISMROCHO-BFYDXBDKSA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001366667490 1147459885 /nfs/dbraw/zinc/45/98/85/1147459885.db2.gz AEJSXGQAAQSQFV-OAHLLOKOSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001366667490 1147459899 /nfs/dbraw/zinc/45/98/99/1147459899.db2.gz AEJSXGQAAQSQFV-OAHLLOKOSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316952589 1147638598 /nfs/dbraw/zinc/63/85/98/1147638598.db2.gz HPDILLZBVSGDKS-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316952589 1147638601 /nfs/dbraw/zinc/63/86/01/1147638601.db2.gz HPDILLZBVSGDKS-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C[NH+](C)C1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000329469771 539921006 /nfs/dbraw/zinc/92/10/06/539921006.db2.gz XSBIFSCJUJJNGP-UHFFFAOYSA-N 2 2 319.453 2.267 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961126 355395685 /nfs/dbraw/zinc/39/56/85/355395685.db2.gz QBBOZIHWKHJKRN-CQSZACIVSA-N 2 2 309.373 2.099 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961126 355395686 /nfs/dbraw/zinc/39/56/86/355395686.db2.gz QBBOZIHWKHJKRN-CQSZACIVSA-N 2 2 309.373 2.099 20 30 DEEDLP C[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593688908 358123174 /nfs/dbraw/zinc/12/31/74/358123174.db2.gz XQVJKTOEIUYTIP-UHFFFAOYSA-N 3 2 312.461 2.206 20 30 DEEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1C ZINC000593691813 358124314 /nfs/dbraw/zinc/12/43/14/358124314.db2.gz NVLUXQIUQFIPEW-UHFFFAOYSA-N 2 2 323.444 2.354 20 30 DEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598587530 359252260 /nfs/dbraw/zinc/25/22/60/359252260.db2.gz BLIOMACUPRSCHC-LSDHHAIUSA-N 2 2 304.438 2.383 20 30 DEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598587530 359252263 /nfs/dbraw/zinc/25/22/63/359252263.db2.gz BLIOMACUPRSCHC-LSDHHAIUSA-N 2 2 304.438 2.383 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000598715912 359303176 /nfs/dbraw/zinc/30/31/76/359303176.db2.gz UWFLBXWPDSKURV-KRWDZBQOSA-N 2 2 312.417 2.322 20 30 DEEDLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+](C)C)cc1 ZINC000598721298 359305314 /nfs/dbraw/zinc/30/53/14/359305314.db2.gz VBFNLGXEVPRHNS-IAGOWNOFSA-N 2 2 303.450 2.488 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602547413 360427302 /nfs/dbraw/zinc/42/73/02/360427302.db2.gz YMQJCMNCUOKDJS-QAPCUYQASA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602547413 360427305 /nfs/dbraw/zinc/42/73/05/360427305.db2.gz YMQJCMNCUOKDJS-QAPCUYQASA-N 2 2 316.449 2.180 20 30 DEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000602656856 360478496 /nfs/dbraw/zinc/47/84/96/360478496.db2.gz ZCWRLKMBCPXDBV-AWEZNQCLSA-N 2 2 302.422 2.408 20 30 DEEDLP N#CC[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602885891 360610078 /nfs/dbraw/zinc/61/00/78/360610078.db2.gz YWHHMCPWGVFNRK-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602885891 360610080 /nfs/dbraw/zinc/61/00/80/360610080.db2.gz YWHHMCPWGVFNRK-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602885891 360610085 /nfs/dbraw/zinc/61/00/85/360610085.db2.gz YWHHMCPWGVFNRK-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602885891 360610090 /nfs/dbraw/zinc/61/00/90/360610090.db2.gz YWHHMCPWGVFNRK-RTBURBONSA-N 2 2 313.445 2.249 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609258107 361293731 /nfs/dbraw/zinc/29/37/31/361293731.db2.gz MCZPBEZGCOMIEF-QGZVFWFLSA-N 2 2 323.400 2.420 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609258107 361293733 /nfs/dbraw/zinc/29/37/33/361293733.db2.gz MCZPBEZGCOMIEF-QGZVFWFLSA-N 2 2 323.400 2.420 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610813024 361471410 /nfs/dbraw/zinc/47/14/10/361471410.db2.gz VMCWYTARNFVZLJ-VQIMIIECSA-N 2 2 312.461 2.227 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000610813024 361471415 /nfs/dbraw/zinc/47/14/15/361471415.db2.gz VMCWYTARNFVZLJ-VQIMIIECSA-N 2 2 312.461 2.227 20 30 DEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)O ZINC000611470184 361603742 /nfs/dbraw/zinc/60/37/42/361603742.db2.gz KWARLBWYZGAPSP-AWEZNQCLSA-N 2 2 301.434 2.272 20 30 DEEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619722301 363865807 /nfs/dbraw/zinc/86/58/07/363865807.db2.gz JXSWBKSRAVNSOK-OAHLLOKOSA-N 2 2 303.406 2.126 20 30 DEEDLP C=C(C)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631149312 368047007 /nfs/dbraw/zinc/04/70/07/368047007.db2.gz JZFWMLDTEOHWPB-UHFFFAOYSA-N 2 2 304.434 2.453 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000268961709 207125306 /nfs/dbraw/zinc/12/53/06/207125306.db2.gz JBGGSCQPNMEVAF-IAGOWNOFSA-N 2 2 303.406 2.009 20 30 DEEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000684207446 542572458 /nfs/dbraw/zinc/57/24/58/542572458.db2.gz PRUVUMKTYIAYDN-SJLPKXTDSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000684207446 542572460 /nfs/dbraw/zinc/57/24/60/542572460.db2.gz PRUVUMKTYIAYDN-SJLPKXTDSA-N 2 2 303.450 2.474 20 30 DEEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356223616 133073249 /nfs/dbraw/zinc/07/32/49/133073249.db2.gz SKBRZJJGJKHGDJ-UHFFFAOYSA-N 2 2 301.419 2.203 20 30 DEEDLP N#CCCn1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000078421121 401851151 /nfs/dbraw/zinc/85/11/51/401851151.db2.gz RRPYVEFHIXCDMM-UHFFFAOYSA-N 2 2 320.400 2.450 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131787185 401857062 /nfs/dbraw/zinc/85/70/62/401857062.db2.gz UKKLONSJRFMTCV-RDJZCZTQSA-N 2 2 317.433 2.348 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131787185 401857065 /nfs/dbraw/zinc/85/70/65/401857065.db2.gz UKKLONSJRFMTCV-RDJZCZTQSA-N 2 2 317.433 2.348 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000267041349 403010517 /nfs/dbraw/zinc/01/05/17/403010517.db2.gz DFKYVPZBDZYJFH-IRXDYDNUSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000267041349 403010519 /nfs/dbraw/zinc/01/05/19/403010519.db2.gz DFKYVPZBDZYJFH-IRXDYDNUSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000267041349 403010521 /nfs/dbraw/zinc/01/05/21/403010521.db2.gz DFKYVPZBDZYJFH-IRXDYDNUSA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000267041349 403010523 /nfs/dbraw/zinc/01/05/23/403010523.db2.gz DFKYVPZBDZYJFH-IRXDYDNUSA-N 2 2 307.482 2.239 20 30 DEEDLP CC(C)(O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274771232 403086225 /nfs/dbraw/zinc/08/62/25/403086225.db2.gz HNSDFULHYUBYSQ-UHFFFAOYSA-N 2 2 301.434 2.273 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346899146 403606681 /nfs/dbraw/zinc/60/66/81/403606681.db2.gz UVDLMOAPXXTOJM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346899146 403606682 /nfs/dbraw/zinc/60/66/82/403606682.db2.gz UVDLMOAPXXTOJM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346899146 403606683 /nfs/dbraw/zinc/60/66/83/403606683.db2.gz UVDLMOAPXXTOJM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346899146 403606684 /nfs/dbraw/zinc/60/66/84/403606684.db2.gz UVDLMOAPXXTOJM-AEFFLSMTSA-N 2 2 320.481 2.328 20 30 DEEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCCCC1 ZINC000303900130 403756428 /nfs/dbraw/zinc/75/64/28/403756428.db2.gz WOFKPKOFLMMFOH-UHFFFAOYSA-N 2 2 301.369 2.312 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289291791 403898450 /nfs/dbraw/zinc/89/84/50/403898450.db2.gz HFZLRKPWNPBOAL-HNNXBMFYSA-N 2 2 324.428 2.048 20 30 DEEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328617304 404115061 /nfs/dbraw/zinc/11/50/61/404115061.db2.gz UBFGQJHWWBUZMC-QLFBSQMISA-N 2 2 319.453 2.137 20 30 DEEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000329725177 404433973 /nfs/dbraw/zinc/43/39/73/404433973.db2.gz ODTKEMSESPXCNM-ZDUSSCGKSA-N 2 2 319.453 2.035 20 30 DEEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000329725177 404433977 /nfs/dbraw/zinc/43/39/77/404433977.db2.gz ODTKEMSESPXCNM-ZDUSSCGKSA-N 2 2 319.453 2.035 20 30 DEEDLP C=CCOc1ccc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1OC ZINC000414937618 404770267 /nfs/dbraw/zinc/77/02/67/404770267.db2.gz DIBOERRDXRWJSR-GOSISDBHSA-N 2 2 320.433 2.118 20 30 DEEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000358924844 404779955 /nfs/dbraw/zinc/77/99/55/404779955.db2.gz YQEDUJHGWKQSAL-UHFFFAOYSA-N 2 2 321.490 2.290 20 30 DEEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000358924844 404779958 /nfs/dbraw/zinc/77/99/58/404779958.db2.gz YQEDUJHGWKQSAL-UHFFFAOYSA-N 2 2 321.490 2.290 20 30 DEEDLP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424145012 405021121 /nfs/dbraw/zinc/02/11/21/405021121.db2.gz YGAXUJKBEAPXRY-INIZCTEOSA-N 2 2 302.422 2.040 20 30 DEEDLP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424145012 405021127 /nfs/dbraw/zinc/02/11/27/405021127.db2.gz YGAXUJKBEAPXRY-INIZCTEOSA-N 2 2 302.422 2.040 20 30 DEEDLP Cn1c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2[nH+]c1C1CC1 ZINC000424164017 405026776 /nfs/dbraw/zinc/02/67/76/405026776.db2.gz BIWLMEXIJRWIEH-ZDUSSCGKSA-N 2 2 311.389 2.410 20 30 DEEDLP Cc1cc(NCC2([NH+](C)C)Cc3ccccc3C2)c(C#N)c[nH+]1 ZINC000425229718 405260945 /nfs/dbraw/zinc/26/09/45/405260945.db2.gz LJGHRTUCQLRNEV-UHFFFAOYSA-N 2 2 306.413 2.195 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427124674 405390436 /nfs/dbraw/zinc/39/04/36/405390436.db2.gz UQYOUHXPWZIEER-CVEARBPZSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427124674 405390437 /nfs/dbraw/zinc/39/04/37/405390437.db2.gz UQYOUHXPWZIEER-CVEARBPZSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(CO)cc(C)[nH+]1)C(C)C ZINC000647854308 407062320 /nfs/dbraw/zinc/06/23/20/407062320.db2.gz KXUSLQUBHSSQKG-KRWDZBQOSA-N 2 2 303.450 2.415 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000248730636 225240017 /nfs/dbraw/zinc/24/00/17/225240017.db2.gz DEICBOMFVQUDSO-FCGDIQPGSA-N 2 2 313.445 2.294 20 30 DEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000248730636 225240020 /nfs/dbraw/zinc/24/00/20/225240020.db2.gz DEICBOMFVQUDSO-FCGDIQPGSA-N 2 2 313.445 2.294 20 30 DEEDLP Cc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cs1 ZINC000267001862 225342097 /nfs/dbraw/zinc/34/20/97/225342097.db2.gz HPHDHBDRMZIILJ-UHFFFAOYSA-N 2 2 304.419 2.350 20 30 DEEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000653586773 425185312 /nfs/dbraw/zinc/18/53/12/425185312.db2.gz ANFFPJZBOOFCAQ-MAUKXSAKSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000653586773 425185317 /nfs/dbraw/zinc/18/53/17/425185317.db2.gz ANFFPJZBOOFCAQ-MAUKXSAKSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000653586773 425185322 /nfs/dbraw/zinc/18/53/22/425185322.db2.gz ANFFPJZBOOFCAQ-MAUKXSAKSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000653586773 425185325 /nfs/dbraw/zinc/18/53/25/425185325.db2.gz ANFFPJZBOOFCAQ-MAUKXSAKSA-N 2 2 315.465 2.303 20 30 DEEDLP C=CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664131495 425312831 /nfs/dbraw/zinc/31/28/31/425312831.db2.gz ZHKAQDYEJHFVSE-OAHLLOKOSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664131495 425312835 /nfs/dbraw/zinc/31/28/35/425312835.db2.gz ZHKAQDYEJHFVSE-OAHLLOKOSA-N 2 2 322.497 2.199 20 30 DEEDLP C=CC[C@]1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000662673300 425709132 /nfs/dbraw/zinc/70/91/32/425709132.db2.gz YIWMBELTUMCEAO-GOSISDBHSA-N 2 2 312.417 2.159 20 30 DEEDLP CCN(CC)C(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277439239 279065407 /nfs/dbraw/zinc/06/54/07/279065407.db2.gz QKZCMPBCKBDFBS-INIZCTEOSA-N 2 2 320.506 2.261 20 30 DEEDLP CCN(CC)C(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277439239 279065409 /nfs/dbraw/zinc/06/54/09/279065409.db2.gz QKZCMPBCKBDFBS-INIZCTEOSA-N 2 2 320.506 2.261 20 30 DEEDLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)C#N)CC1 ZINC000352095730 336194604 /nfs/dbraw/zinc/19/46/04/336194604.db2.gz AAURGJXOHKAXHU-INIZCTEOSA-N 2 2 300.450 2.420 20 30 DEEDLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)C#N)CC1 ZINC000352095730 336194605 /nfs/dbraw/zinc/19/46/05/336194605.db2.gz AAURGJXOHKAXHU-INIZCTEOSA-N 2 2 300.450 2.420 20 30 DEEDLP Clc1cccc(C#CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000582554142 337108408 /nfs/dbraw/zinc/10/84/08/337108408.db2.gz DGSQYVOGSNKTEP-UHFFFAOYSA-N 2 2 300.793 2.237 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377657311 1160682079 /nfs/dbraw/zinc/68/20/79/1160682079.db2.gz NSXMVEHFINLCKL-CABCVRRESA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001377657311 1160682093 /nfs/dbraw/zinc/68/20/93/1160682093.db2.gz NSXMVEHFINLCKL-CABCVRRESA-N 2 2 315.889 2.392 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001330261862 1149082002 /nfs/dbraw/zinc/08/20/02/1149082002.db2.gz IHMJEQDVATVTPR-HUUCEWRRSA-N 2 2 304.438 2.064 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001330261862 1149082008 /nfs/dbraw/zinc/08/20/08/1149082008.db2.gz IHMJEQDVATVTPR-HUUCEWRRSA-N 2 2 304.438 2.064 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000341889570 527189615 /nfs/dbraw/zinc/18/96/15/527189615.db2.gz RVDFFOJCRAXDPZ-XYJFISCASA-N 2 2 303.450 2.066 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000341889570 527189620 /nfs/dbraw/zinc/18/96/20/527189620.db2.gz RVDFFOJCRAXDPZ-XYJFISCASA-N 2 2 303.450 2.066 20 30 DEEDLP C(=[NH+]/OCC[NH+]1CCCCC1)\c1ccc(N2CCOCC2)cc1 ZINC000194371600 527473289 /nfs/dbraw/zinc/47/32/89/527473289.db2.gz AKHKBYBBJDRBLX-KNTRCKAVSA-N 2 2 317.433 2.360 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330956014 527937008 /nfs/dbraw/zinc/93/70/08/527937008.db2.gz UJUKZKMWCKAJBI-GUYCJALGSA-N 2 2 317.437 2.032 20 30 DEEDLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330705980 527969189 /nfs/dbraw/zinc/96/91/89/527969189.db2.gz OGQCQOULFNBRRE-HNNXBMFYSA-N 2 2 321.469 2.134 20 30 DEEDLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330705980 527969196 /nfs/dbraw/zinc/96/91/96/527969196.db2.gz OGQCQOULFNBRRE-HNNXBMFYSA-N 2 2 321.469 2.134 20 30 DEEDLP CCCCCCCCNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267439674 528127857 /nfs/dbraw/zinc/12/78/57/528127857.db2.gz OSJZJIFCZFYMOF-UHFFFAOYSA-N 2 2 308.474 2.251 20 30 DEEDLP CC(C)Oc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1 ZINC000262311351 528205429 /nfs/dbraw/zinc/20/54/29/528205429.db2.gz NZDXDQYTTYQBRZ-CZUORRHYSA-N 2 2 304.438 2.014 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330514845 1149171887 /nfs/dbraw/zinc/17/18/87/1149171887.db2.gz QSLIBESLSLYEIC-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330514845 1149171899 /nfs/dbraw/zinc/17/18/99/1149171899.db2.gz QSLIBESLSLYEIC-MRXNPFEDSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001020441663 622662729 /nfs/dbraw/zinc/66/27/29/622662729.db2.gz GVJMTQXQGKNHAX-WKILWMFISA-N 2 2 310.401 2.299 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970929629 623799359 /nfs/dbraw/zinc/79/93/59/623799359.db2.gz RMSFLNOVNUKQPI-ZFWWWQNUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970929629 623799362 /nfs/dbraw/zinc/79/93/62/623799362.db2.gz RMSFLNOVNUKQPI-ZFWWWQNUSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645764 623895831 /nfs/dbraw/zinc/89/58/31/623895831.db2.gz MPONJPNCQHORPM-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645764 623895839 /nfs/dbraw/zinc/89/58/39/623895839.db2.gz MPONJPNCQHORPM-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024623723 625939471 /nfs/dbraw/zinc/93/94/71/625939471.db2.gz HDMUUWYURWCCNR-OAHLLOKOSA-N 2 2 305.422 2.112 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024623723 625939475 /nfs/dbraw/zinc/93/94/75/625939475.db2.gz HDMUUWYURWCCNR-OAHLLOKOSA-N 2 2 305.422 2.112 20 30 DEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645419 625950810 /nfs/dbraw/zinc/95/08/10/625950810.db2.gz ABKFVKUYIYWZOP-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645419 625950813 /nfs/dbraw/zinc/95/08/13/625950813.db2.gz ABKFVKUYIYWZOP-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997643904 633908500 /nfs/dbraw/zinc/90/85/00/633908500.db2.gz PMVWCRHZPSOYPG-ZDUSSCGKSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981168517 635339194 /nfs/dbraw/zinc/33/91/94/635339194.db2.gz VNZRGQYAFPJLNS-JKSUJKDBSA-N 2 2 317.433 2.226 20 30 DEEDLP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001136292 635406697 /nfs/dbraw/zinc/40/66/97/635406697.db2.gz KMKFDKLLFVYOKD-OAHLLOKOSA-N 2 2 314.433 2.154 20 30 DEEDLP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001136292 635406700 /nfs/dbraw/zinc/40/67/00/635406700.db2.gz KMKFDKLLFVYOKD-OAHLLOKOSA-N 2 2 314.433 2.154 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016329908 635785155 /nfs/dbraw/zinc/78/51/55/635785155.db2.gz DALYGRUBTGYARZ-MRXNPFEDSA-N 2 2 321.852 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016329908 635785158 /nfs/dbraw/zinc/78/51/58/635785158.db2.gz DALYGRUBTGYARZ-MRXNPFEDSA-N 2 2 321.852 2.305 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627249 636504387 /nfs/dbraw/zinc/50/43/87/636504387.db2.gz XTQCCEFJXQFMGR-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627249 636504394 /nfs/dbraw/zinc/50/43/94/636504394.db2.gz XTQCCEFJXQFMGR-QGZVFWFLSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797684 636745399 /nfs/dbraw/zinc/74/53/99/636745399.db2.gz QCZBZPQXYOBHNN-HUUCEWRRSA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797684 636745401 /nfs/dbraw/zinc/74/54/01/636745401.db2.gz QCZBZPQXYOBHNN-HUUCEWRRSA-N 2 2 316.449 2.234 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859343 636965193 /nfs/dbraw/zinc/96/51/93/636965193.db2.gz REBPRMWMZHYUPG-GASCZTMLSA-N 2 2 316.449 2.044 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859343 636965199 /nfs/dbraw/zinc/96/51/99/636965199.db2.gz REBPRMWMZHYUPG-GASCZTMLSA-N 2 2 316.449 2.044 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001006017826 637085405 /nfs/dbraw/zinc/08/54/05/637085405.db2.gz DEGYEDWXHIAWHU-HZPDHXFCSA-N 2 2 316.449 2.023 20 30 DEEDLP N#Cc1ccc([C@@H](O)C[N@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000923351953 637133621 /nfs/dbraw/zinc/13/36/21/637133621.db2.gz NWTMFUFXKHDBOZ-IBGZPJMESA-N 2 2 309.413 2.095 20 30 DEEDLP N#Cc1ccc([C@@H](O)C[N@@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000923351953 637133623 /nfs/dbraw/zinc/13/36/23/637133623.db2.gz NWTMFUFXKHDBOZ-IBGZPJMESA-N 2 2 309.413 2.095 20 30 DEEDLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000744449866 638222388 /nfs/dbraw/zinc/22/23/88/638222388.db2.gz FSNFQYXFEFZGDA-MRXNPFEDSA-N 2 2 300.450 2.468 20 30 DEEDLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000744449866 638222393 /nfs/dbraw/zinc/22/23/93/638222393.db2.gz FSNFQYXFEFZGDA-MRXNPFEDSA-N 2 2 300.450 2.468 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000764661993 640674031 /nfs/dbraw/zinc/67/40/31/640674031.db2.gz ZLNKAHBPKUPZGP-AWEZNQCLSA-N 2 2 307.463 2.071 20 30 DEEDLP C=CC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459249 641063672 /nfs/dbraw/zinc/06/36/72/641063672.db2.gz URLRKMWBHNBYOG-LJQANCHMSA-N 2 2 315.461 2.184 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@@]12CCOC2)C(C)C ZINC000903066992 643235911 /nfs/dbraw/zinc/23/59/11/643235911.db2.gz PREXUJBQXGPHPM-FGTMMUONSA-N 2 2 308.466 2.223 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991389837 646110007 /nfs/dbraw/zinc/11/00/07/646110007.db2.gz SVTBRVCLQARGMP-HKUYNNGSSA-N 2 2 322.412 2.313 20 30 DEEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991389837 646110010 /nfs/dbraw/zinc/11/00/10/646110010.db2.gz SVTBRVCLQARGMP-HKUYNNGSSA-N 2 2 322.412 2.313 20 30 DEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000992859025 647309034 /nfs/dbraw/zinc/30/90/34/647309034.db2.gz RNPAZGJSBOEDQR-RBSFLKMASA-N 2 2 316.449 2.090 20 30 DEEDLP C#CCC(C)(C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656962 647337341 /nfs/dbraw/zinc/33/73/41/647337341.db2.gz RZWRJVPWEOADGJ-UHFFFAOYSA-N 2 2 319.493 2.055 20 30 DEEDLP C#CCC(C)(C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656962 647337342 /nfs/dbraw/zinc/33/73/42/647337342.db2.gz RZWRJVPWEOADGJ-UHFFFAOYSA-N 2 2 319.493 2.055 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621574 648907518 /nfs/dbraw/zinc/90/75/18/648907518.db2.gz UFWUZMYSQCZSMY-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621574 648907521 /nfs/dbraw/zinc/90/75/21/648907521.db2.gz UFWUZMYSQCZSMY-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621574 648907524 /nfs/dbraw/zinc/90/75/24/648907524.db2.gz UFWUZMYSQCZSMY-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621574 648907529 /nfs/dbraw/zinc/90/75/29/648907529.db2.gz UFWUZMYSQCZSMY-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848534062 651468204 /nfs/dbraw/zinc/46/82/04/651468204.db2.gz OYJWVBWGMOPEOF-MRXNPFEDSA-N 2 2 303.381 2.040 20 30 DEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866347198 687543484 /nfs/dbraw/zinc/54/34/84/687543484.db2.gz FSNHUBWRJFDRCJ-LSDHHAIUSA-N 2 2 317.433 2.415 20 30 DEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866347198 687543488 /nfs/dbraw/zinc/54/34/88/687543488.db2.gz FSNHUBWRJFDRCJ-LSDHHAIUSA-N 2 2 317.433 2.415 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016623616 687667395 /nfs/dbraw/zinc/66/73/95/687667395.db2.gz FNDKCQHOGGEWSY-MRXNPFEDSA-N 2 2 324.428 2.413 20 30 DEEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001030832415 688771326 /nfs/dbraw/zinc/77/13/26/688771326.db2.gz BFDFOJHFTCNPQH-KRWDZBQOSA-N 2 2 305.466 2.160 20 30 DEEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001030832415 688771328 /nfs/dbraw/zinc/77/13/28/688771328.db2.gz BFDFOJHFTCNPQH-KRWDZBQOSA-N 2 2 305.466 2.160 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477450 689161737 /nfs/dbraw/zinc/16/17/37/689161737.db2.gz LWZJEUWYTFKVGB-GJZGRUSLSA-N 2 2 310.401 2.428 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477450 689161738 /nfs/dbraw/zinc/16/17/38/689161738.db2.gz LWZJEUWYTFKVGB-GJZGRUSLSA-N 2 2 310.401 2.428 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310320 689457856 /nfs/dbraw/zinc/45/78/56/689457856.db2.gz RVTZCQVCDYHEOU-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310320 689457861 /nfs/dbraw/zinc/45/78/61/689457861.db2.gz RVTZCQVCDYHEOU-SFHVURJKSA-N 2 2 322.412 2.042 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033471475 689513266 /nfs/dbraw/zinc/51/32/66/689513266.db2.gz JTIAPIWIFXIDQB-HNNXBMFYSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033471475 689513267 /nfs/dbraw/zinc/51/32/67/689513267.db2.gz JTIAPIWIFXIDQB-HNNXBMFYSA-N 2 2 313.873 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ZINC000966100828 783561763 /nfs/dbraw/zinc/56/17/63/783561763.db2.gz HOTKZVMIRNASDG-PBHICJAKSA-N 2 2 324.428 2.106 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085249803 783603479 /nfs/dbraw/zinc/60/34/79/783603479.db2.gz RVFWGSQSIUGLGZ-ARFHVFGLSA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651952 783928191 /nfs/dbraw/zinc/92/81/91/783928191.db2.gz IHRGIYAGBCKQGX-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651952 783928198 /nfs/dbraw/zinc/92/81/98/783928198.db2.gz IHRGIYAGBCKQGX-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651952 783928206 /nfs/dbraw/zinc/92/82/06/783928206.db2.gz IHRGIYAGBCKQGX-RRFJBIMHSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651952 783928212 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C=CCCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195753 787969443 /nfs/dbraw/zinc/96/94/43/787969443.db2.gz UMRUGWKKVFZWME-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195753 787969448 /nfs/dbraw/zinc/96/94/48/787969448.db2.gz UMRUGWKKVFZWME-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919945 788227382 /nfs/dbraw/zinc/22/73/82/788227382.db2.gz PBQWNGQBKZGPHX-GDBMZVCRSA-N 2 2 318.465 2.187 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919687 788227776 /nfs/dbraw/zinc/22/77/76/788227776.db2.gz MQCJIQHZIBJBAL-HOCLYGCPSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133241845 788329176 /nfs/dbraw/zinc/32/91/76/788329176.db2.gz LLXYAPBQXVQDCC-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664270 788546133 /nfs/dbraw/zinc/54/61/33/788546133.db2.gz NBBUFXXJEWAPGZ-AWEZNQCLSA-N 2 2 304.438 2.282 20 30 DEEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968636 789150285 /nfs/dbraw/zinc/15/02/85/789150285.db2.gz FFRWESKEGKEADK-UONOGXRCSA-N 2 2 300.406 2.397 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725405 791755193 /nfs/dbraw/zinc/75/51/93/791755193.db2.gz JSMRUSGFTUUOMQ-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725405 791755198 /nfs/dbraw/zinc/75/51/98/791755198.db2.gz JSMRUSGFTUUOMQ-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091725405 791755201 /nfs/dbraw/zinc/75/52/01/791755201.db2.gz JSMRUSGFTUUOMQ-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091725405 791755206 /nfs/dbraw/zinc/75/52/06/791755206.db2.gz JSMRUSGFTUUOMQ-QAPCUYQASA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100332842 792596444 /nfs/dbraw/zinc/59/64/44/792596444.db2.gz ONXPHEFEUPJVED-UHFFFAOYSA-N 2 2 312.417 2.317 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744100 792823936 /nfs/dbraw/zinc/82/39/36/792823936.db2.gz JJRFHQHQZGCJMV-NFOMZHRRSA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744100 792823949 /nfs/dbraw/zinc/82/39/49/792823949.db2.gz JJRFHQHQZGCJMV-NFOMZHRRSA-N 2 2 304.438 2.039 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576958 793138080 /nfs/dbraw/zinc/13/80/80/793138080.db2.gz MYOLLHWCFNARPA-JKSUJKDBSA-N 2 2 318.465 2.286 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488000 793181099 /nfs/dbraw/zinc/18/10/99/793181099.db2.gz GGBDWHRTLUQEQW-AEFFLSMTSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488000 793181107 /nfs/dbraw/zinc/18/11/07/793181107.db2.gz GGBDWHRTLUQEQW-AEFFLSMTSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290501 794021909 /nfs/dbraw/zinc/02/19/09/794021909.db2.gz SQCNUPVRGSBMPO-UKRRQHHQSA-N 2 2 324.856 2.100 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290501 794021918 /nfs/dbraw/zinc/02/19/18/794021918.db2.gz SQCNUPVRGSBMPO-UKRRQHHQSA-N 2 2 324.856 2.100 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103291439 794022919 /nfs/dbraw/zinc/02/29/19/794022919.db2.gz APSUYNGZAMZJMN-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103291439 794022924 /nfs/dbraw/zinc/02/29/24/794022924.db2.gz APSUYNGZAMZJMN-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655623 794863012 /nfs/dbraw/zinc/86/30/12/794863012.db2.gz AUZNNJOTKYEPTE-UHFFFAOYSA-N 2 2 324.856 2.434 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790209 794921234 /nfs/dbraw/zinc/92/12/34/794921234.db2.gz KPUVEFULJYTKTN-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C#CC[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483895 794935444 /nfs/dbraw/zinc/93/54/44/794935444.db2.gz JQBYZWBETDYKEE-UHFFFAOYSA-N 2 2 312.417 2.156 20 30 DEEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065377 795234150 /nfs/dbraw/zinc/23/41/50/795234150.db2.gz PDHIOHIYGFHILY-UHFFFAOYSA-N 2 2 306.454 2.195 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182580154 795709437 /nfs/dbraw/zinc/70/94/37/795709437.db2.gz ONZDLJBDHIVIQW-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184655340 796101169 /nfs/dbraw/zinc/10/11/69/796101169.db2.gz YRKSOPHBQNQDDO-GDBMZVCRSA-N 2 2 318.465 2.187 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202862962 796268505 /nfs/dbraw/zinc/26/85/05/796268505.db2.gz HWPPLKYODDJASP-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202862962 796268510 /nfs/dbraw/zinc/26/85/10/796268510.db2.gz HWPPLKYODDJASP-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788822 796315357 /nfs/dbraw/zinc/31/53/57/796315357.db2.gz QDOLEYOUQUDJAV-IAGOWNOFSA-N 2 2 318.465 2.314 20 30 DEEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078005 796596813 /nfs/dbraw/zinc/59/68/13/796596813.db2.gz KGONYZOHNGQHHS-DLBZAZTESA-N 2 2 322.412 2.217 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321664 797181283 /nfs/dbraw/zinc/18/12/83/797181283.db2.gz XYPMKVJKOQVCDP-OAHLLOKOSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321664 797181286 /nfs/dbraw/zinc/18/12/86/797181286.db2.gz XYPMKVJKOQVCDP-OAHLLOKOSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995137 797439623 /nfs/dbraw/zinc/43/96/23/797439623.db2.gz UDWNWXDMVOJNRH-OAHLLOKOSA-N 2 2 306.454 2.329 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995137 797439626 /nfs/dbraw/zinc/43/96/26/797439626.db2.gz UDWNWXDMVOJNRH-OAHLLOKOSA-N 2 2 306.454 2.329 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192868380 797457228 /nfs/dbraw/zinc/45/72/28/797457228.db2.gz WJLBOYXCGXPSMC-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192868380 797457231 /nfs/dbraw/zinc/45/72/31/797457231.db2.gz WJLBOYXCGXPSMC-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083035 797457855 /nfs/dbraw/zinc/45/78/55/797457855.db2.gz CWUWPFWHDKLCFG-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083035 797457859 /nfs/dbraw/zinc/45/78/59/797457859.db2.gz CWUWPFWHDKLCFG-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083035 797457864 /nfs/dbraw/zinc/45/78/64/797457864.db2.gz CWUWPFWHDKLCFG-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083035 797457867 /nfs/dbraw/zinc/45/78/67/797457867.db2.gz CWUWPFWHDKLCFG-HIFRSBDPSA-N 2 2 318.465 2.226 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093229 797461725 /nfs/dbraw/zinc/46/17/25/797461725.db2.gz VNYAIKHETBFPAS-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093229 797461728 /nfs/dbraw/zinc/46/17/28/797461728.db2.gz VNYAIKHETBFPAS-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787321 797621316 /nfs/dbraw/zinc/62/13/16/797621316.db2.gz POYXFRIOUAJMMZ-DOTOQJQBSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787321 797621318 /nfs/dbraw/zinc/62/13/18/797621318.db2.gz POYXFRIOUAJMMZ-DOTOQJQBSA-N 2 2 318.465 2.240 20 30 DEEDLP N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c12 ZINC001155833620 797859463 /nfs/dbraw/zinc/85/94/63/797859463.db2.gz MNWKMSROFIOPOK-WMLDXEAASA-N 2 2 311.389 2.148 20 30 DEEDLP C#CCCCNC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198030239 798274256 /nfs/dbraw/zinc/27/42/56/798274256.db2.gz KIVIGQPWJLILIT-UHFFFAOYSA-N 2 2 315.461 2.213 20 30 DEEDLP C#CCCCNC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198030239 798274259 /nfs/dbraw/zinc/27/42/59/798274259.db2.gz KIVIGQPWJLILIT-UHFFFAOYSA-N 2 2 315.461 2.213 20 30 DEEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957461 798313850 /nfs/dbraw/zinc/31/38/50/798313850.db2.gz ATJGPWVTJHOKAB-QGZVFWFLSA-N 2 2 324.428 2.202 20 30 DEEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957461 798313857 /nfs/dbraw/zinc/31/38/57/798313857.db2.gz ATJGPWVTJHOKAB-QGZVFWFLSA-N 2 2 324.428 2.202 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090225 798341012 /nfs/dbraw/zinc/34/10/12/798341012.db2.gz PFBDDHKJCUKNLH-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090225 798341018 /nfs/dbraw/zinc/34/10/18/798341018.db2.gz PFBDDHKJCUKNLH-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090225 798341024 /nfs/dbraw/zinc/34/10/24/798341024.db2.gz PFBDDHKJCUKNLH-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090225 798341029 /nfs/dbraw/zinc/34/10/29/798341029.db2.gz PFBDDHKJCUKNLH-BZUAXINKSA-N 2 2 316.449 2.402 20 30 DEEDLP Cc1c[nH+]ccc1N1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001158107750 798344509 /nfs/dbraw/zinc/34/45/09/798344509.db2.gz FLGHZEJWZZKTNF-UHFFFAOYSA-N 2 2 318.384 2.465 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641613 798939846 /nfs/dbraw/zinc/93/98/46/798939846.db2.gz SYHKOXFIBDSZAL-OAGGEKHMSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110641613 798939850 /nfs/dbraw/zinc/93/98/50/798939850.db2.gz SYHKOXFIBDSZAL-OAGGEKHMSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641613 798939854 /nfs/dbraw/zinc/93/98/54/798939854.db2.gz SYHKOXFIBDSZAL-OAGGEKHMSA-N 2 2 302.422 2.030 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110641613 798939859 /nfs/dbraw/zinc/93/98/59/798939859.db2.gz SYHKOXFIBDSZAL-OAGGEKHMSA-N 2 2 302.422 2.030 20 30 DEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718722 799764932 /nfs/dbraw/zinc/76/49/32/799764932.db2.gz PFYDSDTXGCEOAD-UHFFFAOYSA-N 2 2 318.465 2.379 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166407667 799867425 /nfs/dbraw/zinc/86/74/25/799867425.db2.gz APRMKCKEEUKLHD-KBPBESRZSA-N 2 2 304.438 2.280 20 30 DEEDLP CCOC(=O)C1(C#N)CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208187945 800925503 /nfs/dbraw/zinc/92/55/03/800925503.db2.gz QLXJMQIGTOCNMH-UHFFFAOYSA-N 2 2 321.465 2.277 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038190 801211732 /nfs/dbraw/zinc/21/17/32/801211732.db2.gz SBOOKAQBCXGOOV-NILFDRSVSA-N 2 2 324.856 2.358 20 30 DEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001229138581 801228767 /nfs/dbraw/zinc/22/87/67/801228767.db2.gz BJRCKSDTMRTVPR-OAHLLOKOSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089175 802640310 /nfs/dbraw/zinc/64/03/10/802640310.db2.gz BPNJXKHDWFAUCL-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089175 802640313 /nfs/dbraw/zinc/64/03/13/802640313.db2.gz BPNJXKHDWFAUCL-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001223578119 802801995 /nfs/dbraw/zinc/80/19/95/802801995.db2.gz PPWYBBQXWZGGMS-UHFFFAOYSA-N 2 2 317.433 2.037 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418866186 1168019788 /nfs/dbraw/zinc/01/97/88/1168019788.db2.gz JTTRHANHEIWDSZ-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418866186 1168019793 /nfs/dbraw/zinc/01/97/93/1168019793.db2.gz JTTRHANHEIWDSZ-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001418866186 1168019799 /nfs/dbraw/zinc/01/97/99/1168019799.db2.gz JTTRHANHEIWDSZ-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001418866186 1168019805 /nfs/dbraw/zinc/01/98/05/1168019805.db2.gz JTTRHANHEIWDSZ-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331293496 1149413109 /nfs/dbraw/zinc/41/31/09/1149413109.db2.gz COGWFJAFJHFOCZ-INIZCTEOSA-N 2 2 318.465 2.329 20 30 DEEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001335999849 1150585759 /nfs/dbraw/zinc/58/57/59/1150585759.db2.gz IEGNOSOKVCTPBX-UHFFFAOYSA-N 2 2 319.836 2.356 20 30 DEEDLP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327225411 1148401054 /nfs/dbraw/zinc/40/10/54/1148401054.db2.gz NBJLFLHDOIPPQN-INIZCTEOSA-N 2 2 318.465 2.192 20 30 DEEDLP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327225411 1148401059 /nfs/dbraw/zinc/40/10/59/1148401059.db2.gz NBJLFLHDOIPPQN-INIZCTEOSA-N 2 2 318.465 2.192 20 30 DEEDLP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479692593 1061606469 /nfs/dbraw/zinc/60/64/69/1061606469.db2.gz NVXLOTDQLKIZDM-IAGOWNOFSA-N 2 2 316.449 2.218 20 30 DEEDLP C=CC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001479870217 1061960623 /nfs/dbraw/zinc/96/06/23/1061960623.db2.gz BESYILIUKZJBIH-UHFFFAOYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001479870217 1061960639 /nfs/dbraw/zinc/96/06/39/1061960639.db2.gz BESYILIUKZJBIH-UHFFFAOYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001493955371 1064039221 /nfs/dbraw/zinc/03/92/21/1064039221.db2.gz IKQUJKBXKPLEGW-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001493955371 1064039226 /nfs/dbraw/zinc/03/92/26/1064039226.db2.gz IKQUJKBXKPLEGW-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001493955371 1064039228 /nfs/dbraw/zinc/03/92/28/1064039228.db2.gz IKQUJKBXKPLEGW-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001493955371 1064039235 /nfs/dbraw/zinc/03/92/35/1064039235.db2.gz IKQUJKBXKPLEGW-INIZCTEOSA-N 2 2 304.438 2.231 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001494172440 1064156022 /nfs/dbraw/zinc/15/60/22/1064156022.db2.gz PPKAAKWJVFVXRG-HOTGVXAUSA-N 2 2 318.465 2.098 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001494172440 1064156029 /nfs/dbraw/zinc/15/60/29/1064156029.db2.gz PPKAAKWJVFVXRG-HOTGVXAUSA-N 2 2 318.465 2.098 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567914332 1064513456 /nfs/dbraw/zinc/51/34/56/1064513456.db2.gz RSXBUTKRNVXSGF-IAGOWNOFSA-N 2 2 316.449 2.026 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567914332 1064513472 /nfs/dbraw/zinc/51/34/72/1064513472.db2.gz RSXBUTKRNVXSGF-IAGOWNOFSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001568070027 1064631552 /nfs/dbraw/zinc/63/15/52/1064631552.db2.gz QYQNZYVEPNOLCH-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001568126412 1064660164 /nfs/dbraw/zinc/66/01/64/1064660164.db2.gz BYDFXBQELRQLGS-UHFFFAOYSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001495391172 1064876957 /nfs/dbraw/zinc/87/69/57/1064876957.db2.gz NMRNLBQMOGKTNI-HZPDHXFCSA-N 2 2 304.438 2.239 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC/C=C\CCC ZINC001569361392 1065457427 /nfs/dbraw/zinc/45/74/27/1065457427.db2.gz NTVHDJBEQHJUEQ-LUNNPTDRSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC/C=C\CCC ZINC001569361392 1065457434 /nfs/dbraw/zinc/45/74/34/1065457434.db2.gz NTVHDJBEQHJUEQ-LUNNPTDRSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC/C=C\CCC ZINC001569361392 1065457442 /nfs/dbraw/zinc/45/74/42/1065457442.db2.gz NTVHDJBEQHJUEQ-LUNNPTDRSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC/C=C\CCC ZINC001569361392 1065457449 /nfs/dbraw/zinc/45/74/49/1065457449.db2.gz NTVHDJBEQHJUEQ-LUNNPTDRSA-N 2 2 317.477 2.021 20 30 DEEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001569379662 1065475863 /nfs/dbraw/zinc/47/58/63/1065475863.db2.gz FVEQSLWHEOLKEL-QZTJIDSGSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001569379662 1065475866 /nfs/dbraw/zinc/47/58/66/1065475866.db2.gz FVEQSLWHEOLKEL-QZTJIDSGSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001569467220 1065523515 /nfs/dbraw/zinc/52/35/15/1065523515.db2.gz LUMJJHNCCRQSNO-GOSISDBHSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001569467220 1065523527 /nfs/dbraw/zinc/52/35/27/1065523527.db2.gz LUMJJHNCCRQSNO-GOSISDBHSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCCC[NH+]1CCC(C)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001569706242 1065681818 /nfs/dbraw/zinc/68/18/18/1065681818.db2.gz DHHCZLGQJDADFU-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001637101223 1078503075 /nfs/dbraw/zinc/50/30/75/1078503075.db2.gz VBHGOAVVSJXWAP-UHFFFAOYSA-N 2 2 304.438 2.020 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001499835050 1067354081 /nfs/dbraw/zinc/35/40/81/1067354081.db2.gz LOINPVQEVAFUIQ-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001499835050 1067354090 /nfs/dbraw/zinc/35/40/90/1067354090.db2.gz LOINPVQEVAFUIQ-GJZGRUSLSA-N 2 2 304.438 2.278 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC001580065720 1067486922 /nfs/dbraw/zinc/48/69/22/1067486922.db2.gz PSVOXKQIXQEICO-UHFFFAOYSA-N 2 2 320.440 2.335 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001267170295 1078635128 /nfs/dbraw/zinc/63/51/28/1078635128.db2.gz IOXKYSZNMYXWRU-MRXNPFEDSA-N 2 2 324.428 2.332 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001267170295 1078635131 /nfs/dbraw/zinc/63/51/31/1078635131.db2.gz IOXKYSZNMYXWRU-MRXNPFEDSA-N 2 2 324.428 2.332 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001483705818 1078831249 /nfs/dbraw/zinc/83/12/49/1078831249.db2.gz JIRHOIUUPVMUAC-DLBZAZTESA-N 2 2 301.434 2.056 20 30 DEEDLP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480983406 1079028963 /nfs/dbraw/zinc/02/89/63/1079028963.db2.gz AAVHRXSARUSJIH-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480983406 1079028968 /nfs/dbraw/zinc/02/89/68/1079028968.db2.gz AAVHRXSARUSJIH-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(C#N)CC3)C2)ccn1 ZINC001646006639 1079075496 /nfs/dbraw/zinc/07/54/96/1079075496.db2.gz SYGYOCPEPZKXKG-QGZVFWFLSA-N 2 2 314.433 2.290 20 30 DEEDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(C#N)CC3)C2)ccn1 ZINC001646006639 1079075507 /nfs/dbraw/zinc/07/55/07/1079075507.db2.gz SYGYOCPEPZKXKG-QGZVFWFLSA-N 2 2 314.433 2.290 20 30 DEEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3(C#N)CC3)C2)ccn1 ZINC001646006639 1079075515 /nfs/dbraw/zinc/07/55/15/1079075515.db2.gz SYGYOCPEPZKXKG-QGZVFWFLSA-N 2 2 314.433 2.290 20 30 DEEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)ccn1 ZINC001646006639 1079075523 /nfs/dbraw/zinc/07/55/23/1079075523.db2.gz SYGYOCPEPZKXKG-QGZVFWFLSA-N 2 2 314.433 2.290 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001484106388 1079305635 /nfs/dbraw/zinc/30/56/35/1079305635.db2.gz GWTZWMJKVNBHBY-AEFFLSMTSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001566797805 1075346778 /nfs/dbraw/zinc/34/67/78/1075346778.db2.gz LSAWQKRDBBEYGC-WKILWMFISA-N 2 2 317.433 2.060 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001566898551 1075378170 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300.406 2.256 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001673407589 1081769224 /nfs/dbraw/zinc/76/92/24/1081769224.db2.gz SXSMFWNZSGDKIT-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001673407589 1081769229 /nfs/dbraw/zinc/76/92/29/1081769229.db2.gz SXSMFWNZSGDKIT-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001482439508 1081831056 /nfs/dbraw/zinc/83/10/56/1081831056.db2.gz QUGMBPWRVJOBTI-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266897301 1082437853 /nfs/dbraw/zinc/43/78/53/1082437853.db2.gz MNZDMYBXSJIXDL-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266897301 1082437861 /nfs/dbraw/zinc/43/78/61/1082437861.db2.gz MNZDMYBXSJIXDL-HUUCEWRRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 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CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000180934040 199230395 /nfs/dbraw/zinc/23/03/95/199230395.db2.gz KSEKIICMKAHAFE-UHFFFAOYSA-N 2 2 317.452 2.135 20 30 DEEDLP CN(CC#Cc1ccc(F)cc1)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180934040 199230397 /nfs/dbraw/zinc/23/03/97/199230397.db2.gz KSEKIICMKAHAFE-UHFFFAOYSA-N 2 2 317.452 2.135 20 30 DEEDLP CN(CC#Cc1ccc(F)cc1)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180934040 199230399 /nfs/dbraw/zinc/23/03/99/199230399.db2.gz KSEKIICMKAHAFE-UHFFFAOYSA-N 2 2 317.452 2.135 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000598701775 359297993 /nfs/dbraw/zinc/29/79/93/359297993.db2.gz YTINEJVPEQKBRI-AWEZNQCLSA-N 2 2 316.380 2.402 20 30 DEEDLP C[C@H](CCC#N)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000602533861 360421284 /nfs/dbraw/zinc/42/12/84/360421284.db2.gz PVTAFEMUKIUHQG-QGZVFWFLSA-N 3 2 315.465 2.123 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602539354 360424155 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2.178 20 30 DEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852937 285395411 /nfs/dbraw/zinc/39/54/11/285395411.db2.gz GGPJVMLRFCUDSY-HOTGVXAUSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852937 285395412 /nfs/dbraw/zinc/39/54/12/285395412.db2.gz GGPJVMLRFCUDSY-HOTGVXAUSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852937 285395413 /nfs/dbraw/zinc/39/54/13/285395413.db2.gz GGPJVMLRFCUDSY-HOTGVXAUSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852937 285395414 /nfs/dbraw/zinc/39/54/14/285395414.db2.gz GGPJVMLRFCUDSY-HOTGVXAUSA-N 2 2 320.481 2.134 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001422603940 1172754285 /nfs/dbraw/zinc/75/42/85/1172754285.db2.gz MBNQBSLOOVMGQM-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001422603940 1172754291 /nfs/dbraw/zinc/75/42/91/1172754291.db2.gz MBNQBSLOOVMGQM-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP NC(=[NH+]OCc1ccon1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000077239178 401807429 /nfs/dbraw/zinc/80/74/29/401807429.db2.gz XZAWGVCTNLKNEI-UHFFFAOYSA-N 2 2 314.389 2.498 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658211 401753092 /nfs/dbraw/zinc/75/30/92/401753092.db2.gz UZVKZKCJQKGZKL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112658211 401753093 /nfs/dbraw/zinc/75/30/93/401753093.db2.gz UZVKZKCJQKGZKL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000112658211 401753094 /nfs/dbraw/zinc/75/30/94/401753094.db2.gz UZVKZKCJQKGZKL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112658211 401753095 /nfs/dbraw/zinc/75/30/95/401753095.db2.gz UZVKZKCJQKGZKL-GOEBONIOSA-N 2 2 314.433 2.159 20 30 DEEDLP C=CCOc1cccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c1 ZINC000124294495 402173456 /nfs/dbraw/zinc/17/34/56/402173456.db2.gz RFDFUSBTDACCGU-MRXNPFEDSA-N 2 2 304.434 2.452 20 30 DEEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245680051 402478486 /nfs/dbraw/zinc/47/84/86/402478486.db2.gz OYVDBCGNIOQEMR-RHSMWYFYSA-N 2 2 323.400 2.276 20 30 DEEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245680051 402478488 /nfs/dbraw/zinc/47/84/88/402478488.db2.gz OYVDBCGNIOQEMR-RHSMWYFYSA-N 2 2 323.400 2.276 20 30 DEEDLP N#Cc1cccc(NC(=O)C2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000270832382 403229045 /nfs/dbraw/zinc/22/90/45/403229045.db2.gz DCEJJMIFLUHALL-UHFFFAOYSA-N 2 2 323.400 2.105 20 30 DEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285630762 403343097 /nfs/dbraw/zinc/34/30/97/403343097.db2.gz LHRFVIHVRGTCOI-HNNXBMFYSA-N 2 2 309.417 2.402 20 30 DEEDLP N#CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000286133380 403456931 /nfs/dbraw/zinc/45/69/31/403456931.db2.gz WOZBPCOIIOMPEI-UHFFFAOYSA-N 2 2 312.461 2.434 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000362720145 403983163 /nfs/dbraw/zinc/98/31/63/403983163.db2.gz SNASUQBKGWQDQB-HKUYNNGSSA-N 2 2 314.429 2.042 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000362720145 403983168 /nfs/dbraw/zinc/98/31/68/403983168.db2.gz SNASUQBKGWQDQB-HKUYNNGSSA-N 2 2 314.429 2.042 20 30 DEEDLP C=CCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364856003 404540028 /nfs/dbraw/zinc/54/00/28/404540028.db2.gz NXSSEIGRFDHNGB-QGZVFWFLSA-N 2 2 322.497 2.153 20 30 DEEDLP C=CCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364856003 404540036 /nfs/dbraw/zinc/54/00/36/404540036.db2.gz NXSSEIGRFDHNGB-QGZVFWFLSA-N 2 2 322.497 2.153 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819141 404602222 /nfs/dbraw/zinc/60/22/22/404602222.db2.gz UFSYZHLNBTXJSS-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000373819141 404602225 /nfs/dbraw/zinc/60/22/25/404602225.db2.gz UFSYZHLNBTXJSS-NJAFHUGGSA-N 2 2 317.408 2.381 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cnccn3)CC2)cc1 ZINC000376166317 404812100 /nfs/dbraw/zinc/81/21/00/404812100.db2.gz LMAPADUHGHSWSP-UHFFFAOYSA-N 2 2 321.428 2.145 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430964446 405549836 /nfs/dbraw/zinc/54/98/36/405549836.db2.gz YXGQIOAGVPVKBS-OFQRWUPVSA-N 2 2 321.490 2.320 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430964446 405549847 /nfs/dbraw/zinc/54/98/47/405549847.db2.gz YXGQIOAGVPVKBS-OFQRWUPVSA-N 2 2 321.490 2.320 20 30 DEEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)O ZINC000449542384 405605496 /nfs/dbraw/zinc/60/54/96/405605496.db2.gz MJIFQBPXTPARRW-KBXCAEBGSA-N 2 2 301.434 2.272 20 30 DEEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367104 405779402 /nfs/dbraw/zinc/77/94/02/405779402.db2.gz CXQWLDDJYHVGPU-KXBFYZLASA-N 3 2 312.461 2.253 20 30 DEEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000561945215 405952850 /nfs/dbraw/zinc/95/28/50/405952850.db2.gz NILLLAMFOJFFBH-OAHLLOKOSA-N 2 2 321.490 2.112 20 30 DEEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000561945215 405952855 /nfs/dbraw/zinc/95/28/55/405952855.db2.gz NILLLAMFOJFFBH-OAHLLOKOSA-N 2 2 321.490 2.112 20 30 DEEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000561945215 405952865 /nfs/dbraw/zinc/95/28/65/405952865.db2.gz NILLLAMFOJFFBH-OAHLLOKOSA-N 2 2 321.490 2.112 20 30 DEEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000561945215 405952874 /nfs/dbraw/zinc/95/28/74/405952874.db2.gz NILLLAMFOJFFBH-OAHLLOKOSA-N 2 2 321.490 2.112 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068502 406249747 /nfs/dbraw/zinc/24/97/47/406249747.db2.gz GBOWVBLVUYVYAN-HIFRSBDPSA-N 2 2 323.400 2.108 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068502 406249753 /nfs/dbraw/zinc/24/97/53/406249753.db2.gz GBOWVBLVUYVYAN-HIFRSBDPSA-N 2 2 323.400 2.108 20 30 DEEDLP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)c(C#N)c[nH+]1 ZINC000570274209 406370312 /nfs/dbraw/zinc/37/03/12/406370312.db2.gz HLDFNMWHXUKQDT-UHFFFAOYSA-N 2 2 307.401 2.155 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000491646323 406648935 /nfs/dbraw/zinc/64/89/35/406648935.db2.gz STNYKBMUMOEXBK-LBPRGKRZSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000491646323 406648938 /nfs/dbraw/zinc/64/89/38/406648938.db2.gz STNYKBMUMOEXBK-LBPRGKRZSA-N 2 2 310.239 2.450 20 30 DEEDLP CC[C@H]1CN(C(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)CCS1 ZINC000261965542 288249811 /nfs/dbraw/zinc/24/98/11/288249811.db2.gz PWPJJASHLYXGFZ-AWEZNQCLSA-N 2 2 321.494 2.122 20 30 DEEDLP C=C(C)COCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000569596066 332190551 /nfs/dbraw/zinc/19/05/51/332190551.db2.gz SHLMGNHSKNRJIZ-INIZCTEOSA-N 2 2 317.433 2.196 20 30 DEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000562985803 333010869 /nfs/dbraw/zinc/01/08/69/333010869.db2.gz TTYAFMGZQFIHJN-RDJZCZTQSA-N 2 2 315.417 2.030 20 30 DEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000548782688 341275476 /nfs/dbraw/zinc/27/54/76/341275476.db2.gz JBGFLPNXGNXNEU-MRXNPFEDSA-N 2 2 312.417 2.052 20 30 DEEDLP CC#CCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015085 526291822 /nfs/dbraw/zinc/29/18/22/526291822.db2.gz GOJBEQSOPQSXEN-UHFFFAOYSA-N 2 2 319.493 2.199 20 30 DEEDLP CC#CCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015085 526291828 /nfs/dbraw/zinc/29/18/28/526291828.db2.gz GOJBEQSOPQSXEN-UHFFFAOYSA-N 2 2 319.493 2.199 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261658813 526373906 /nfs/dbraw/zinc/37/39/06/526373906.db2.gz IBZPBUBKMKIHDK-YOEHRIQHSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261658813 526373911 /nfs/dbraw/zinc/37/39/11/526373911.db2.gz IBZPBUBKMKIHDK-YOEHRIQHSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370004565 527039439 /nfs/dbraw/zinc/03/94/39/527039439.db2.gz FJPCAXUHIXQERV-NVXWUHKLSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370004565 527039444 /nfs/dbraw/zinc/03/94/44/527039444.db2.gz FJPCAXUHIXQERV-NVXWUHKLSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423019905 527190406 /nfs/dbraw/zinc/19/04/06/527190406.db2.gz XTKOHEILKTXGSJ-BMGDILEWSA-N 2 2 304.434 2.263 20 30 DEEDLP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261975075 528813140 /nfs/dbraw/zinc/81/31/40/528813140.db2.gz 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ZINC001034208113 689763839 /nfs/dbraw/zinc/76/38/39/689763839.db2.gz VRRUXOALYFAONR-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034275905 689790977 /nfs/dbraw/zinc/79/09/77/689790977.db2.gz GKRCSRKHBKDJJM-LSDHHAIUSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034275905 689790978 /nfs/dbraw/zinc/79/09/78/689790978.db2.gz GKRCSRKHBKDJJM-LSDHHAIUSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034275905 689790981 /nfs/dbraw/zinc/79/09/81/689790981.db2.gz GKRCSRKHBKDJJM-LSDHHAIUSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034275905 689790982 /nfs/dbraw/zinc/79/09/82/689790982.db2.gz GKRCSRKHBKDJJM-LSDHHAIUSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391454 689832546 /nfs/dbraw/zinc/83/25/46/689832546.db2.gz MSTYGPLSLAPIHP-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391454 689832548 /nfs/dbraw/zinc/83/25/48/689832548.db2.gz MSTYGPLSLAPIHP-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001034731107 689935813 /nfs/dbraw/zinc/93/58/13/689935813.db2.gz IDYGIHGKUXHQDA-RBSFLKMASA-N 2 2 316.449 2.423 20 30 DEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037892470 690634602 /nfs/dbraw/zinc/63/46/02/690634602.db2.gz NOWOUGQYXNSOQE-SJORKVTESA-N 2 2 313.445 2.470 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222628 691059392 /nfs/dbraw/zinc/05/93/92/691059392.db2.gz JPDNCGIGVACXMG-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222628 691059396 /nfs/dbraw/zinc/05/93/96/691059396.db2.gz JPDNCGIGVACXMG-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264597 691223152 /nfs/dbraw/zinc/22/31/52/691223152.db2.gz QCUTZXJGGMTMHP-IBGZPJMESA-N 2 2 322.412 2.124 20 30 DEEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264597 691223153 /nfs/dbraw/zinc/22/31/53/691223153.db2.gz QCUTZXJGGMTMHP-IBGZPJMESA-N 2 2 322.412 2.124 20 30 DEEDLP C#CCN1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000886210948 692024686 /nfs/dbraw/zinc/02/46/86/692024686.db2.gz FVDNWFQVMRHTLD-CQSZACIVSA-N 2 2 300.431 2.121 20 30 DEEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001047264906 692405422 /nfs/dbraw/zinc/40/54/22/692405422.db2.gz BQFRGZLINOHRNP-QGZVFWFLSA-N 2 2 316.449 2.020 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552904 692919547 /nfs/dbraw/zinc/91/95/47/692919547.db2.gz QTLONVPJXVKYEA-QZTJIDSGSA-N 2 2 322.412 2.265 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552904 692919550 /nfs/dbraw/zinc/91/95/50/692919550.db2.gz QTLONVPJXVKYEA-QZTJIDSGSA-N 2 2 322.412 2.265 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075681 693101539 /nfs/dbraw/zinc/10/15/39/693101539.db2.gz NJEFCDSONDGVHY-RRFJBIMHSA-N 2 2 313.873 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075681 693101541 /nfs/dbraw/zinc/10/15/41/693101541.db2.gz NJEFCDSONDGVHY-RRFJBIMHSA-N 2 2 313.873 2.002 20 30 DEEDLP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(C#N)c1O ZINC000924654566 693165903 /nfs/dbraw/zinc/16/59/03/693165903.db2.gz UMEPYLXFUZDDRH-MRXNPFEDSA-N 2 2 305.422 2.273 20 30 DEEDLP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(C#N)c1O ZINC000924654566 693165908 /nfs/dbraw/zinc/16/59/08/693165908.db2.gz UMEPYLXFUZDDRH-MRXNPFEDSA-N 2 2 305.422 2.273 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112514 693692308 /nfs/dbraw/zinc/69/23/08/693692308.db2.gz NOHHSXXRECKODP-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112514 693692310 /nfs/dbraw/zinc/69/23/10/693692310.db2.gz NOHHSXXRECKODP-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001402400625 1162344661 /nfs/dbraw/zinc/34/46/61/1162344661.db2.gz GERPVYNCAWPPLZ-HNNXBMFYSA-N 2 2 324.856 2.114 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001402400625 1162344662 /nfs/dbraw/zinc/34/46/62/1162344662.db2.gz GERPVYNCAWPPLZ-HNNXBMFYSA-N 2 2 324.856 2.114 20 30 DEEDLP C#CC[NH+]1CCC(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001345673014 1150904152 /nfs/dbraw/zinc/90/41/52/1150904152.db2.gz GHMYGQSQNZDIQD-UHFFFAOYSA-N 2 2 309.369 2.127 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001371566625 1155874119 /nfs/dbraw/zinc/87/41/19/1155874119.db2.gz LAFXKCNAXBRRIN-CYBMUJFWSA-N 2 2 318.808 2.139 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001372629723 1156618955 /nfs/dbraw/zinc/61/89/55/1156618955.db2.gz TXXQPDNTUOKYHC-CQSZACIVSA-N 2 2 324.856 2.117 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001372629723 1156618958 /nfs/dbraw/zinc/61/89/58/1156618958.db2.gz TXXQPDNTUOKYHC-CQSZACIVSA-N 2 2 324.856 2.117 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373405081 1157032556 /nfs/dbraw/zinc/03/25/56/1157032556.db2.gz SCKBSEPLXXSFLP-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373405081 1157032563 /nfs/dbraw/zinc/03/25/63/1157032563.db2.gz SCKBSEPLXXSFLP-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001375889009 1158926033 /nfs/dbraw/zinc/92/60/33/1158926033.db2.gz LCGHCNBKKUONCU-GDBMZVCRSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001398760007 1161092887 /nfs/dbraw/zinc/09/28/87/1161092887.db2.gz FUSICOOMOHXKOC-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001398760007 1161092893 /nfs/dbraw/zinc/09/28/93/1161092893.db2.gz FUSICOOMOHXKOC-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001401626905 1162051404 /nfs/dbraw/zinc/05/14/04/1162051404.db2.gz DRKCAAAIAPSTJD-ZIAGYGMSSA-N 2 2 312.845 2.317 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001420022524 1169073170 /nfs/dbraw/zinc/07/31/70/1169073170.db2.gz NPUDCWKRKLRYRU-KGLIPLIRSA-N 2 2 324.856 2.122 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001421135566 1171521857 /nfs/dbraw/zinc/52/18/57/1171521857.db2.gz JPBCDUHZBVCRRX-LBPRGKRZSA-N 2 2 310.829 2.020 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001424795380 1173937552 /nfs/dbraw/zinc/93/75/52/1173937552.db2.gz TVESMTVPURIANQ-STQMWFEESA-N 2 2 312.845 2.162 20 30 DEEDLP CN(c1cc(F)ccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001434435429 1178542556 /nfs/dbraw/zinc/54/25/56/1178542556.db2.gz CWAUTGHZJOPMOR-QGZVFWFLSA-N 2 2 316.424 2.302 20 30 DEEDLP CN(c1cc(F)ccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001434435429 1178542578 /nfs/dbraw/zinc/54/25/78/1178542578.db2.gz CWAUTGHZJOPMOR-QGZVFWFLSA-N 2 2 316.424 2.302 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001438248408 1180281395 /nfs/dbraw/zinc/28/13/95/1180281395.db2.gz BDRVXKMPLVQCNK-HNNXBMFYSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001438248408 1180281416 /nfs/dbraw/zinc/28/14/16/1180281416.db2.gz BDRVXKMPLVQCNK-HNNXBMFYSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001440126888 1181360099 /nfs/dbraw/zinc/36/00/99/1181360099.db2.gz IMCJUBYFYWHDLP-SHTZXODSSA-N 2 2 324.856 2.148 20 30 DEEDLP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001440613327 1181614168 /nfs/dbraw/zinc/61/41/68/1181614168.db2.gz MGTLSZPPYLAJTF-UHFFFAOYSA-N 2 2 324.856 2.076 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001440990687 1181815239 /nfs/dbraw/zinc/81/52/39/1181815239.db2.gz IJHLBTBVADSPCZ-TZMCWYRMSA-N 2 2 310.829 2.064 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441209258 1181895735 /nfs/dbraw/zinc/89/57/35/1181895735.db2.gz NWZCBQMAXZLOHR-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001441913385 1182246936 /nfs/dbraw/zinc/24/69/36/1182246936.db2.gz XYHBKDWRDNSOSX-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001441913385 1182246938 /nfs/dbraw/zinc/24/69/38/1182246938.db2.gz XYHBKDWRDNSOSX-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001441913385 1182246944 /nfs/dbraw/zinc/24/69/44/1182246944.db2.gz XYHBKDWRDNSOSX-ZIAGYGMSSA-N 2 2 301.862 2.050 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ZINC001222092144 802641584 /nfs/dbraw/zinc/64/15/84/802641584.db2.gz KBWJJRDDGSBRSM-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225646786 802996466 /nfs/dbraw/zinc/99/64/66/802996466.db2.gz KARDUTWXLXDPHF-UHFFFAOYSA-N 2 2 304.438 2.068 20 30 DEEDLP C=CC[NH2+]CCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001330938540 1149338794 /nfs/dbraw/zinc/33/87/94/1149338794.db2.gz AEXWTFFUTXPQAY-OAHLLOKOSA-N 2 2 314.433 2.246 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001331487710 1149478417 /nfs/dbraw/zinc/47/84/17/1149478417.db2.gz IATMTWOGSDPVJW-CQSZACIVSA-N 2 2 305.422 2.035 20 30 DEEDLP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001328468595 1148800302 /nfs/dbraw/zinc/80/03/02/1148800302.db2.gz NLTWTRYQROIQEZ-ZWKOTPCHSA-N 2 2 315.461 2.228 20 30 DEEDLP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001328468595 1148800303 /nfs/dbraw/zinc/80/03/03/1148800303.db2.gz NLTWTRYQROIQEZ-ZWKOTPCHSA-N 2 2 315.461 2.228 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001328650870 1148820612 /nfs/dbraw/zinc/82/06/12/1148820612.db2.gz HGFOLDBDPCYXHF-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001328650870 1148820614 /nfs/dbraw/zinc/82/06/14/1148820614.db2.gz HGFOLDBDPCYXHF-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001328651535 1148820759 /nfs/dbraw/zinc/82/07/59/1148820759.db2.gz ZNEKOBBHWRMIIX-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328735431 1148829643 /nfs/dbraw/zinc/82/96/43/1148829643.db2.gz ARTZKBJPGKJYCG-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328735431 1148829645 /nfs/dbraw/zinc/82/96/45/1148829645.db2.gz ARTZKBJPGKJYCG-INIZCTEOSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CC[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C(=O)OCC ZINC001462186226 1058774679 /nfs/dbraw/zinc/77/46/79/1058774679.db2.gz BYENQPADVNLGOS-PQUAAJSLSA-N 2 2 324.465 2.117 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001369163106 1148859049 /nfs/dbraw/zinc/85/90/49/1148859049.db2.gz ITRYPFWJTXSZKR-HDJSIYSDSA-N 2 2 324.856 2.164 20 30 DEEDLP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001479846791 1061903346 /nfs/dbraw/zinc/90/33/46/1061903346.db2.gz BUEBPCLUKNXVBD-MRXNPFEDSA-N 2 2 318.465 2.240 20 30 DEEDLP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001479846791 1061903369 /nfs/dbraw/zinc/90/33/69/1061903369.db2.gz BUEBPCLUKNXVBD-MRXNPFEDSA-N 2 2 318.465 2.240 20 30 DEEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507015473 1062676850 /nfs/dbraw/zinc/67/68/50/1062676850.db2.gz NVSFKLSOPTWVSL-KRWDZBQOSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001493559241 1063863905 /nfs/dbraw/zinc/86/39/05/1063863905.db2.gz YZONDQVGZAAEPP-HNNXBMFYSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001567836420 1064450101 /nfs/dbraw/zinc/45/01/01/1064450101.db2.gz IEYGLSWJZGOYHF-CQSZACIVSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001567924751 1064525844 /nfs/dbraw/zinc/52/58/44/1064525844.db2.gz GQGLHXXYUNQTEX-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001567924751 1064525860 /nfs/dbraw/zinc/52/58/60/1064525860.db2.gz GQGLHXXYUNQTEX-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494912099 1064572581 /nfs/dbraw/zinc/57/25/81/1064572581.db2.gz DMLDNBPQVWLUDL-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494912099 1064572599 /nfs/dbraw/zinc/57/25/99/1064572599.db2.gz DMLDNBPQVWLUDL-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCC[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568172072 1064682131 /nfs/dbraw/zinc/68/21/31/1064682131.db2.gz NGQKRIQQDLEUEJ-CYBMUJFWSA-N 2 2 300.406 2.174 20 30 DEEDLP C=CC[NH2+]C[C@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@H]1C ZINC001495322387 1064830989 /nfs/dbraw/zinc/83/09/89/1064830989.db2.gz VVGGRDCDJYCHID-CRAIPNDOSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001569338658 1065438453 /nfs/dbraw/zinc/43/84/53/1065438453.db2.gz PJPYNOAUTKUINI-HZPDHXFCSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001496452569 1065481174 /nfs/dbraw/zinc/48/11/74/1065481174.db2.gz VJSKYJIWPXGIMQ-UONOGXRCSA-N 2 2 304.438 2.090 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001496483753 1065502896 /nfs/dbraw/zinc/50/28/96/1065502896.db2.gz AATOZVATXGLBCU-YOEHRIQHSA-N 2 2 318.465 2.444 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCCCCC)C1 ZINC001569493113 1065541666 /nfs/dbraw/zinc/54/16/66/1065541666.db2.gz VQJUWELVGCCUNN-SFHVURJKSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCCCCC)C1 ZINC001569493113 1065541673 /nfs/dbraw/zinc/54/16/73/1065541673.db2.gz VQJUWELVGCCUNN-SFHVURJKSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001570033542 1065893840 /nfs/dbraw/zinc/89/38/40/1065893840.db2.gz WJZZPEPTFGVSTM-INIZCTEOSA-N 2 2 324.428 2.264 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCC1 ZINC001570108209 1065926593 /nfs/dbraw/zinc/92/65/93/1065926593.db2.gz NXEOCFKUEJTEDV-INIZCTEOSA-N 2 2 316.449 2.122 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267045370 1078525581 /nfs/dbraw/zinc/52/55/81/1078525581.db2.gz YIRGFCAXOFKZDO-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267045370 1078525586 /nfs/dbraw/zinc/52/55/86/1078525586.db2.gz YIRGFCAXOFKZDO-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC001580035917 1067477999 /nfs/dbraw/zinc/47/79/99/1067477999.db2.gz JAQLEAVSLCZLBZ-PKOBYXMFSA-N 2 2 312.461 2.259 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169357 1078633575 /nfs/dbraw/zinc/63/35/75/1078633575.db2.gz OAFQYMZYPSQGII-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169357 1078633583 /nfs/dbraw/zinc/63/35/83/1078633583.db2.gz OAFQYMZYPSQGII-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169357 1078633589 /nfs/dbraw/zinc/63/35/89/1078633589.db2.gz OAFQYMZYPSQGII-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169357 1078633595 /nfs/dbraw/zinc/63/35/95/1078633595.db2.gz OAFQYMZYPSQGII-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169676 1078633770 /nfs/dbraw/zinc/63/37/70/1078633770.db2.gz UHFOGAFFACGJHT-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169676 1078633775 /nfs/dbraw/zinc/63/37/75/1078633775.db2.gz UHFOGAFFACGJHT-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169676 1078633780 /nfs/dbraw/zinc/63/37/80/1078633780.db2.gz UHFOGAFFACGJHT-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169676 1078633785 /nfs/dbraw/zinc/63/37/85/1078633785.db2.gz UHFOGAFFACGJHT-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001570799714 1068121032 /nfs/dbraw/zinc/12/10/32/1068121032.db2.gz GWMOLRYKLRCFBY-UHFFFAOYSA-N 2 2 304.438 2.258 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001570910080 1068157741 /nfs/dbraw/zinc/15/77/41/1068157741.db2.gz WLPUPFYXUQNJLO-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001570910080 1068157744 /nfs/dbraw/zinc/15/77/44/1068157744.db2.gz WLPUPFYXUQNJLO-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001267208849 1078667225 /nfs/dbraw/zinc/66/72/25/1078667225.db2.gz YXDRYDAJQKPQDW-JKSUJKDBSA-N 2 2 316.449 2.074 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001267216041 1078672974 /nfs/dbraw/zinc/67/29/74/1078672974.db2.gz LBNWGDAWEPKKHG-CQSZACIVSA-N 2 2 318.465 2.480 20 30 DEEDLP C#CC[NH2+]CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001521438176 1069241499 /nfs/dbraw/zinc/24/14/99/1069241499.db2.gz BSDLGBYXMFPTTD-UHFFFAOYSA-N 2 2 310.401 2.216 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001272592696 1078994036 /nfs/dbraw/zinc/99/40/36/1078994036.db2.gz 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ZINC001262574269 1144320655 /nfs/dbraw/zinc/32/06/55/1144320655.db2.gz OHVMZXBWLPYZII-MJGOQNOKSA-N 2 2 300.446 2.261 20 30 DEEDLP C#C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574269 1144320659 /nfs/dbraw/zinc/32/06/59/1144320659.db2.gz OHVMZXBWLPYZII-MJGOQNOKSA-N 2 2 300.446 2.261 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001265093231 1144641732 /nfs/dbraw/zinc/64/17/32/1144641732.db2.gz XVJVXSJRCTUZNC-WBVHZDCISA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001265319635 1144692928 /nfs/dbraw/zinc/69/29/28/1144692928.db2.gz OXJROPNAKRKCNW-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001265319635 1144692931 /nfs/dbraw/zinc/69/29/31/1144692931.db2.gz OXJROPNAKRKCNW-CVEARBPZSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001265331453 1144694934 /nfs/dbraw/zinc/69/49/34/1144694934.db2.gz AQTQDKCBZUUOIL-HZPDHXFCSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001265689432 1144728471 /nfs/dbraw/zinc/72/84/71/1144728471.db2.gz CQVDHWRQFGZLSV-QGZVFWFLSA-N 2 2 318.465 2.290 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001265689431 1144728578 /nfs/dbraw/zinc/72/85/78/1144728578.db2.gz CQVDHWRQFGZLSV-KRWDZBQOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265709084 1144732758 /nfs/dbraw/zinc/73/27/58/1144732758.db2.gz YWMNTRUDNNMAPB-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265709084 1144732761 /nfs/dbraw/zinc/73/27/61/1144732761.db2.gz YWMNTRUDNNMAPB-CVEARBPZSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001282271241 1145027585 /nfs/dbraw/zinc/02/75/85/1145027585.db2.gz RIUFBWZNQYKYII-UHFFFAOYSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001283051227 1145249527 /nfs/dbraw/zinc/24/95/27/1145249527.db2.gz CQMKJMOQYBAKJN-JYJNAYRXSA-N 2 2 304.438 2.141 20 30 DEEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283503383 1145480436 /nfs/dbraw/zinc/48/04/36/1145480436.db2.gz QVXSIDFXDAUEJY-KRWDZBQOSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284699264 1145892245 /nfs/dbraw/zinc/89/22/45/1145892245.db2.gz CRVIEPACDYWXKE-HUUCEWRRSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001491893602 1146961770 /nfs/dbraw/zinc/96/17/70/1146961770.db2.gz FXMRAXTXKRAWAI-HOTGVXAUSA-N 2 2 318.465 2.336 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001316794008 1147601394 /nfs/dbraw/zinc/60/13/94/1147601394.db2.gz FHLITNOYRAKNRT-XHSDSOJGSA-N 2 2 304.438 2.379 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001316794008 1147601395 /nfs/dbraw/zinc/60/13/95/1147601395.db2.gz FHLITNOYRAKNRT-XHSDSOJGSA-N 2 2 304.438 2.379 20 30 DEEDLP C=CCC[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001324876672 1147854941 /nfs/dbraw/zinc/85/49/41/1147854941.db2.gz QJYRNTXNVYSZQN-UHFFFAOYSA-N 2 2 304.438 2.068 20 30 DEEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001325413675 1147903133 /nfs/dbraw/zinc/90/31/33/1147903133.db2.gz CBFNQXLBUDCDPN-JKSUJKDBSA-N 2 2 318.465 2.329 20 30 DEEDLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001325862729 1148010604 /nfs/dbraw/zinc/01/06/04/1148010604.db2.gz JCHJHXISLIDAMN-OAHLLOKOSA-N 2 2 314.433 2.351 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001368104780 1148227397 /nfs/dbraw/zinc/22/73/97/1148227397.db2.gz WYYJAIHLXYJROO-CYBMUJFWSA-N 2 2 318.808 2.281 20 30 DEEDLP C[C@@]1(C#N)CCC[N@H+](CCOCC[NH+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165446 361762158 /nfs/dbraw/zinc/76/21/58/361762158.db2.gz LXEAYURADDCNFA-HDICACEKSA-N 2 2 318.465 2.254 20 30 DEEDLP C[C@@]1(C#N)CCC[N@@H+](CCOCC[NH+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165446 361762163 /nfs/dbraw/zinc/76/21/63/361762163.db2.gz LXEAYURADDCNFA-HDICACEKSA-N 2 2 318.465 2.254 20 30 DEEDLP C[C@@]1(C#N)CCC[NH+](CCOCC[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165446 361762171 /nfs/dbraw/zinc/76/21/71/361762171.db2.gz LXEAYURADDCNFA-HDICACEKSA-N 2 2 318.465 2.254 20 30 DEEDLP C[C@@]1(C#N)CCC[NH+](CCOCC[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612165446 361762177 /nfs/dbraw/zinc/76/21/77/361762177.db2.gz LXEAYURADDCNFA-HDICACEKSA-N 2 2 318.465 2.254 20 30 DEEDLP COc1cc(C#N)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000121222961 355795312 /nfs/dbraw/zinc/79/53/12/355795312.db2.gz TZFGFJJARFEVDJ-UHFFFAOYSA-N 2 2 308.385 2.284 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000590778918 357610841 /nfs/dbraw/zinc/61/08/41/357610841.db2.gz OLBQEINXVQJHER-PKOBYXMFSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000590778918 357610844 /nfs/dbraw/zinc/61/08/44/357610844.db2.gz OLBQEINXVQJHER-PKOBYXMFSA-N 2 2 313.445 2.372 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000668793868 540731298 /nfs/dbraw/zinc/73/12/98/540731298.db2.gz RXZXTWVAGBHVKN-UHFFFAOYSA-N 2 2 312.417 2.307 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157810 361285314 /nfs/dbraw/zinc/28/53/14/361285314.db2.gz YSFYLPHAPHGNCC-GOEBONIOSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157810 361285315 /nfs/dbraw/zinc/28/53/15/361285315.db2.gz YSFYLPHAPHGNCC-GOEBONIOSA-N 2 2 323.400 2.419 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267476383 206093805 /nfs/dbraw/zinc/09/38/05/206093805.db2.gz ZHBYVGDPHGCAFN-HUUCEWRRSA-N 2 2 302.422 2.178 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267476383 206093809 /nfs/dbraw/zinc/09/38/09/206093809.db2.gz ZHBYVGDPHGCAFN-HUUCEWRRSA-N 2 2 302.422 2.178 20 30 DEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267567667 206149416 /nfs/dbraw/zinc/14/94/16/206149416.db2.gz CIDHZRILYQIQLU-INIZCTEOSA-N 2 2 324.384 2.375 20 30 DEEDLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692929 221157504 /nfs/dbraw/zinc/15/75/04/221157504.db2.gz DXZNZMFOIOLVCX-KSSFIOAISA-N 2 2 301.434 2.396 20 30 DEEDLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692929 221157508 /nfs/dbraw/zinc/15/75/08/221157508.db2.gz DXZNZMFOIOLVCX-KSSFIOAISA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692929 221157511 /nfs/dbraw/zinc/15/75/11/221157511.db2.gz DXZNZMFOIOLVCX-KSSFIOAISA-N 2 2 301.434 2.396 20 30 DEEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289692929 221157513 /nfs/dbraw/zinc/15/75/13/221157513.db2.gz DXZNZMFOIOLVCX-KSSFIOAISA-N 2 2 301.434 2.396 20 30 DEEDLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000121614938 195316849 /nfs/dbraw/zinc/31/68/49/195316849.db2.gz VRSNFIZHWFBQMG-UHFFFAOYSA-N 2 2 320.462 2.222 20 30 DEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563220647 292040600 /nfs/dbraw/zinc/04/06/00/292040600.db2.gz UDCSOCTYCRDUSC-OAHLLOKOSA-N 2 2 313.445 2.446 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000305635552 145343868 /nfs/dbraw/zinc/34/38/68/145343868.db2.gz HMYPWZJUGGAYJK-PMACEKPBSA-N 2 2 321.424 2.283 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000305635552 145343869 /nfs/dbraw/zinc/34/38/69/145343869.db2.gz HMYPWZJUGGAYJK-PMACEKPBSA-N 2 2 321.424 2.283 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346523288 146096500 /nfs/dbraw/zinc/09/65/00/146096500.db2.gz ZLTDRZLMRMBOMO-QGZVFWFLSA-N 2 2 322.368 2.045 20 30 DEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346523288 146096503 /nfs/dbraw/zinc/09/65/03/146096503.db2.gz ZLTDRZLMRMBOMO-QGZVFWFLSA-N 2 2 322.368 2.045 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370696932 148045965 /nfs/dbraw/zinc/04/59/65/148045965.db2.gz IQTQPDZIWZRMJU-YOEHRIQHSA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370696932 148045968 /nfs/dbraw/zinc/04/59/68/148045968.db2.gz IQTQPDZIWZRMJU-YOEHRIQHSA-N 2 2 318.490 2.078 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131786985 401856726 /nfs/dbraw/zinc/85/67/26/401856726.db2.gz UKKLONSJRFMTCV-WBVHZDCISA-N 2 2 317.433 2.348 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131786985 401856728 /nfs/dbraw/zinc/85/67/28/401856728.db2.gz UKKLONSJRFMTCV-WBVHZDCISA-N 2 2 317.433 2.348 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178858023 402547298 /nfs/dbraw/zinc/54/72/98/402547298.db2.gz CDVSDEVOOUVWSE-OAHLLOKOSA-N 2 2 309.454 2.236 20 30 DEEDLP C=CCC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000268633980 403101375 /nfs/dbraw/zinc/10/13/75/403101375.db2.gz LDXBOWKCCOWFIT-INIZCTEOSA-N 2 2 318.465 2.358 20 30 DEEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000292096209 403289904 /nfs/dbraw/zinc/28/99/04/403289904.db2.gz FYXBMABOAPDIJD-QGZVFWFLSA-N 2 2 314.433 2.282 20 30 DEEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000292096209 403289907 /nfs/dbraw/zinc/28/99/07/403289907.db2.gz FYXBMABOAPDIJD-QGZVFWFLSA-N 2 2 314.433 2.282 20 30 DEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862832 403310584 /nfs/dbraw/zinc/31/05/84/403310584.db2.gz MLJVQBKWQKKFSI-PBHICJAKSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862832 403310588 /nfs/dbraw/zinc/31/05/88/403310588.db2.gz MLJVQBKWQKKFSI-PBHICJAKSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862832 403310591 /nfs/dbraw/zinc/31/05/91/403310591.db2.gz MLJVQBKWQKKFSI-PBHICJAKSA-N 2 2 314.433 2.301 20 30 DEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330862832 403310595 /nfs/dbraw/zinc/31/05/95/403310595.db2.gz MLJVQBKWQKKFSI-PBHICJAKSA-N 2 2 314.433 2.301 20 30 DEEDLP CN(C(=O)C[N@H+](C)CCC[NH+]1CCCC1)C1(C#N)CCCCC1 ZINC000337243852 403975321 /nfs/dbraw/zinc/97/53/21/403975321.db2.gz HVJGOYPZWAHEIP-UHFFFAOYSA-N 2 2 320.481 2.089 20 30 DEEDLP CN(C(=O)C[N@@H+](C)CCC[NH+]1CCCC1)C1(C#N)CCCCC1 ZINC000337243852 403975326 /nfs/dbraw/zinc/97/53/26/403975326.db2.gz HVJGOYPZWAHEIP-UHFFFAOYSA-N 2 2 320.481 2.089 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873772 404071035 /nfs/dbraw/zinc/07/10/35/404071035.db2.gz ZQXPNHLOSJMMEX-LESCRADOSA-N 2 2 315.417 2.103 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OCC#N)cc1 ZINC000320873772 404071044 /nfs/dbraw/zinc/07/10/44/404071044.db2.gz ZQXPNHLOSJMMEX-LESCRADOSA-N 2 2 315.417 2.103 20 30 DEEDLP C=CCC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000344923476 404448707 /nfs/dbraw/zinc/44/87/07/404448707.db2.gz UOBPGLANDQBEDF-OAHLLOKOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000344923476 404448711 /nfs/dbraw/zinc/44/87/11/404448711.db2.gz UOBPGLANDQBEDF-OAHLLOKOSA-N 2 2 307.482 2.216 20 30 DEEDLP CN(C)C(NCc1ccccc1)=[NH+]Cc1c[nH+]c2n1CCCC2 ZINC000376727000 404827529 /nfs/dbraw/zinc/82/75/29/404827529.db2.gz BRSPUMCEFDNAKJ-UHFFFAOYSA-N 2 2 311.433 2.427 20 30 DEEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C#N)cc1 ZINC000453273339 405289556 /nfs/dbraw/zinc/28/95/56/405289556.db2.gz VSEGDEDWZDOPDB-ZWKOTPCHSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(C#N)cc1 ZINC000453273339 405289559 /nfs/dbraw/zinc/28/95/59/405289559.db2.gz VSEGDEDWZDOPDB-ZWKOTPCHSA-N 2 2 301.434 2.446 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423206020 405723673 /nfs/dbraw/zinc/72/36/73/405723673.db2.gz FOXNTEXQYYZCHK-GOSISDBHSA-N 3 2 312.461 2.112 20 30 DEEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367101 405777782 /nfs/dbraw/zinc/77/77/82/405777782.db2.gz CXQWLDDJYHVGPU-BEFAXECRSA-N 3 2 312.461 2.253 20 30 DEEDLP N#CCC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000564866389 406067564 /nfs/dbraw/zinc/06/75/64/406067564.db2.gz NSMVKOAQZWIDOZ-UHFFFAOYSA-N 2 2 305.345 2.316 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490914252 406506126 /nfs/dbraw/zinc/50/61/26/406506126.db2.gz GVTQQPOTAITLRX-KRWDZBQOSA-N 2 2 309.369 2.127 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490914252 406506129 /nfs/dbraw/zinc/50/61/29/406506129.db2.gz GVTQQPOTAITLRX-KRWDZBQOSA-N 2 2 309.369 2.127 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635531691 406577173 /nfs/dbraw/zinc/57/71/73/406577173.db2.gz VOBOAUDDUOWBLS-MRXNPFEDSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789148 406892302 /nfs/dbraw/zinc/89/23/02/406892302.db2.gz ZILSTFWATNDMOA-QZTJIDSGSA-N 2 2 309.498 2.117 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]CCOC)CC2)c1 ZINC000650705858 425038133 /nfs/dbraw/zinc/03/81/33/425038133.db2.gz YSQLVYADLGYUEM-UHFFFAOYSA-N 2 2 304.434 2.452 20 30 DEEDLP C=CC[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000664537751 425406537 /nfs/dbraw/zinc/40/65/37/425406537.db2.gz RLBYIEIHVHCSTB-MRXNPFEDSA-N 2 2 322.497 2.010 20 30 DEEDLP C=CC[C@]1(C(=O)N(C)CCCc2[nH+]ccn2CCC)CCC[NH2+]1 ZINC000662802638 425739587 /nfs/dbraw/zinc/73/95/87/425739587.db2.gz KUBGNHJUWCXGIU-GOSISDBHSA-N 2 2 318.465 2.382 20 30 DEEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC[NH2+]1 ZINC000662668806 425707487 /nfs/dbraw/zinc/70/74/87/425707487.db2.gz JHPWOBNDPNNUGR-KRWDZBQOSA-N 2 2 319.474 2.091 20 30 DEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c(C#N)cccc3C#N)C2)CC1 ZINC000365461956 277028478 /nfs/dbraw/zinc/02/84/78/277028478.db2.gz PGZVIHCYOCMVFP-MRXNPFEDSA-N 2 2 309.417 2.010 20 30 DEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c(C#N)cccc3C#N)C2)CC1 ZINC000365461956 277028479 /nfs/dbraw/zinc/02/84/79/277028479.db2.gz PGZVIHCYOCMVFP-MRXNPFEDSA-N 2 2 309.417 2.010 20 30 DEEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)N1 ZINC000262474355 297088503 /nfs/dbraw/zinc/08/85/03/297088503.db2.gz BSLJIWKANZBKJT-ZWNOBZJWSA-N 2 2 314.355 2.245 20 30 DEEDLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C#N)CC1 ZINC000352095731 336194502 /nfs/dbraw/zinc/19/45/02/336194502.db2.gz AAURGJXOHKAXHU-MRXNPFEDSA-N 2 2 300.450 2.420 20 30 DEEDLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)C#N)CC1 ZINC000352095731 336194503 /nfs/dbraw/zinc/19/45/03/336194503.db2.gz AAURGJXOHKAXHU-MRXNPFEDSA-N 2 2 300.450 2.420 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001378228302 1152235206 /nfs/dbraw/zinc/23/52/06/1152235206.db2.gz HXDNULMYOJCCBQ-ZBFHGGJFSA-N 2 2 323.868 2.478 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001378228302 1152235208 /nfs/dbraw/zinc/23/52/08/1152235208.db2.gz HXDNULMYOJCCBQ-ZBFHGGJFSA-N 2 2 323.868 2.478 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001369523173 1149016073 /nfs/dbraw/zinc/01/60/73/1149016073.db2.gz FQJJDLOXHYUMRU-UHFFFAOYSA-N 2 2 312.845 2.113 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001369523173 1149016077 /nfs/dbraw/zinc/01/60/77/1149016077.db2.gz FQJJDLOXHYUMRU-UHFFFAOYSA-N 2 2 312.845 2.113 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000246259748 526538559 /nfs/dbraw/zinc/53/85/59/526538559.db2.gz UQMOZGWYMRXPTK-IAGOWNOFSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000246259748 526538563 /nfs/dbraw/zinc/53/85/63/526538563.db2.gz UQMOZGWYMRXPTK-IAGOWNOFSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000246259748 526538569 /nfs/dbraw/zinc/53/85/69/526538569.db2.gz UQMOZGWYMRXPTK-IAGOWNOFSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000246259748 526538573 /nfs/dbraw/zinc/53/85/73/526538573.db2.gz UQMOZGWYMRXPTK-IAGOWNOFSA-N 2 2 309.498 2.463 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245458700 526621866 /nfs/dbraw/zinc/62/18/66/526621866.db2.gz VAAUDYXZFFLZRS-SJLPKXTDSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245458700 526621870 /nfs/dbraw/zinc/62/18/70/526621870.db2.gz VAAUDYXZFFLZRS-SJLPKXTDSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245458700 526621873 /nfs/dbraw/zinc/62/18/73/526621873.db2.gz VAAUDYXZFFLZRS-SJLPKXTDSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245458700 526621878 /nfs/dbraw/zinc/62/18/78/526621878.db2.gz VAAUDYXZFFLZRS-SJLPKXTDSA-N 2 2 315.461 2.131 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001379617462 1152654077 /nfs/dbraw/zinc/65/40/77/1152654077.db2.gz FFTJXMRLAYFLHZ-IJEWVQPXSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001379617462 1152654082 /nfs/dbraw/zinc/65/40/82/1152654082.db2.gz FFTJXMRLAYFLHZ-IJEWVQPXSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303155 625329987 /nfs/dbraw/zinc/32/99/87/625329987.db2.gz FNHXMOXTHVVXOR-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303155 625329992 /nfs/dbraw/zinc/32/99/92/625329992.db2.gz FNHXMOXTHVVXOR-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972742696 625518438 /nfs/dbraw/zinc/51/84/38/625518438.db2.gz KHDMSYYFAHIBBL-ZDUSSCGKSA-N 2 2 322.840 2.046 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972742696 625518442 /nfs/dbraw/zinc/51/84/42/625518442.db2.gz KHDMSYYFAHIBBL-ZDUSSCGKSA-N 2 2 322.840 2.046 20 30 DEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351105 633135817 /nfs/dbraw/zinc/13/58/17/633135817.db2.gz GYBAIQQKESRCFT-UHFFFAOYSA-N 2 2 317.433 2.362 20 30 DEEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581114 633162994 /nfs/dbraw/zinc/16/29/94/633162994.db2.gz FEFKAMLHUSUGPQ-INIZCTEOSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997299146 633700367 /nfs/dbraw/zinc/70/03/67/633700367.db2.gz XMBTYKQSJSHWKT-HIFRSBDPSA-N 2 2 316.449 2.232 20 30 DEEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997644550 633909005 /nfs/dbraw/zinc/90/90/05/633909005.db2.gz RGWQPOKQGOUEGG-AWEZNQCLSA-N 2 2 324.428 2.417 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977414524 633975146 /nfs/dbraw/zinc/97/51/46/633975146.db2.gz LZXLNWNZBMENCQ-QGZVFWFLSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977414524 633975147 /nfs/dbraw/zinc/97/51/47/633975147.db2.gz LZXLNWNZBMENCQ-QGZVFWFLSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892595 634890388 /nfs/dbraw/zinc/89/03/88/634890388.db2.gz ACHNQKRTJOAHDY-SOUVJXGZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892595 634890392 /nfs/dbraw/zinc/89/03/92/634890392.db2.gz ACHNQKRTJOAHDY-SOUVJXGZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892595 634890396 /nfs/dbraw/zinc/89/03/96/634890396.db2.gz ACHNQKRTJOAHDY-SOUVJXGZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892595 634890400 /nfs/dbraw/zinc/89/04/00/634890400.db2.gz ACHNQKRTJOAHDY-SOUVJXGZSA-N 2 2 313.873 2.050 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000921861219 635640604 /nfs/dbraw/zinc/64/06/04/635640604.db2.gz WRFGISCTCAVPHO-HZPDHXFCSA-N 2 2 305.447 2.087 20 30 DEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042283 635841211 /nfs/dbraw/zinc/84/12/11/635841211.db2.gz KRDGTCGAQODKBW-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042283 635841213 /nfs/dbraw/zinc/84/12/13/635841213.db2.gz KRDGTCGAQODKBW-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239551 635945322 /nfs/dbraw/zinc/94/53/22/635945322.db2.gz PNYZWOGYKKQAAT-QGZVFWFLSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239551 635945323 /nfs/dbraw/zinc/94/53/23/635945323.db2.gz PNYZWOGYKKQAAT-QGZVFWFLSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000983553099 637013749 /nfs/dbraw/zinc/01/37/49/637013749.db2.gz HXWMDOFKCNIPJD-UHFFFAOYSA-N 2 2 310.401 2.206 20 30 DEEDLP C=CC[N@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000983553099 637013754 /nfs/dbraw/zinc/01/37/54/637013754.db2.gz HXWMDOFKCNIPJD-UHFFFAOYSA-N 2 2 310.401 2.206 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000985535639 639475779 /nfs/dbraw/zinc/47/57/79/639475779.db2.gz UFBBGRYEWWFXII-UHFFFAOYSA-N 2 2 312.417 2.447 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000985535639 639475782 /nfs/dbraw/zinc/47/57/82/639475782.db2.gz UFBBGRYEWWFXII-UHFFFAOYSA-N 2 2 312.417 2.447 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)CC3CC3)CC2)cc1 ZINC000611438865 640658388 /nfs/dbraw/zinc/65/83/88/640658388.db2.gz VXLWUXHDOCUEOH-LJQANCHMSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CC[C@H](CO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000775422503 642042206 /nfs/dbraw/zinc/04/22/06/642042206.db2.gz MLFAZCYPXMKEHX-INIZCTEOSA-N 2 2 317.477 2.496 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000900293420 642315105 /nfs/dbraw/zinc/31/51/05/642315105.db2.gz GUOWFPMIPQHPDC-UHFFFAOYSA-N 2 2 302.353 2.458 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@]12CCOC2)C(C)C ZINC000903066993 643235897 /nfs/dbraw/zinc/23/58/97/643235897.db2.gz PREXUJBQXGPHPM-KURKYZTESA-N 2 2 308.466 2.223 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947313725 646505370 /nfs/dbraw/zinc/50/53/70/646505370.db2.gz CERCPWKIXIZHFF-YOEHRIQHSA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947313725 646505371 /nfs/dbraw/zinc/50/53/71/646505371.db2.gz CERCPWKIXIZHFF-YOEHRIQHSA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000992778502 647242816 /nfs/dbraw/zinc/24/28/16/647242816.db2.gz FBDLQEROGAKYFM-BRWVUGGUSA-N 2 2 316.449 2.066 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000820810406 647922960 /nfs/dbraw/zinc/92/29/60/647922960.db2.gz WIJGGORGLFYRNW-YQQQUEKLSA-N 3 2 321.509 2.258 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000820847298 647930823 /nfs/dbraw/zinc/93/08/23/647930823.db2.gz YOKDZNNDCRLPGP-UHFFFAOYSA-N 2 2 314.408 2.115 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000820847298 647930827 /nfs/dbraw/zinc/93/08/27/647930827.db2.gz YOKDZNNDCRLPGP-UHFFFAOYSA-N 2 2 314.408 2.115 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000930124361 648214697 /nfs/dbraw/zinc/21/46/97/648214697.db2.gz ITWNIFQRKFALFP-UHFFFAOYSA-N 2 2 310.401 2.215 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000930124361 648214698 /nfs/dbraw/zinc/21/46/98/648214698.db2.gz ITWNIFQRKFALFP-UHFFFAOYSA-N 2 2 310.401 2.215 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940887052 648962468 /nfs/dbraw/zinc/96/24/68/648962468.db2.gz XFFKSGJDYNBMQG-OAHLLOKOSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940887052 648962470 /nfs/dbraw/zinc/96/24/70/648962470.db2.gz XFFKSGJDYNBMQG-OAHLLOKOSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(Br)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848526263 651467120 /nfs/dbraw/zinc/46/71/20/651467120.db2.gz ZQTWMNAXSSWBIF-ZDUSSCGKSA-N 2 2 303.244 2.128 20 30 DEEDLP C[NH+]=C(NC[C@H](c1ccc(SC)cc1)[NH+](C)C)NC1CC1 ZINC000849033238 651589999 /nfs/dbraw/zinc/58/99/99/651589999.db2.gz XHWGRNPPQDNJBR-OAHLLOKOSA-N 2 2 306.479 2.339 20 30 DEEDLP COc1cccc(O)c1/C=N/[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849170289 651616210 /nfs/dbraw/zinc/61/62/10/651616210.db2.gz NJWVOEFYVSTIJI-QCUKBLKESA-N 2 2 307.438 2.092 20 30 DEEDLP COc1cccc(O)c1/C=N/[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849170289 651616212 /nfs/dbraw/zinc/61/62/12/651616212.db2.gz NJWVOEFYVSTIJI-QCUKBLKESA-N 2 2 307.438 2.092 20 30 DEEDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C#N ZINC000873228731 689189317 /nfs/dbraw/zinc/18/93/17/689189317.db2.gz UNTDLDLFUKMZMV-QWHCGFSZSA-N 2 2 313.323 2.136 20 30 DEEDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C#N ZINC000873228731 689189319 /nfs/dbraw/zinc/18/93/19/689189319.db2.gz UNTDLDLFUKMZMV-QWHCGFSZSA-N 2 2 313.323 2.136 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584024 689194321 /nfs/dbraw/zinc/19/43/21/689194321.db2.gz LIWLBDKYTBQRCE-BZSNNMDCSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584024 689194322 /nfs/dbraw/zinc/19/43/22/689194322.db2.gz LIWLBDKYTBQRCE-BZSNNMDCSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584024 689194325 /nfs/dbraw/zinc/19/43/25/689194325.db2.gz LIWLBDKYTBQRCE-BZSNNMDCSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584024 689194328 /nfs/dbraw/zinc/19/43/28/689194328.db2.gz LIWLBDKYTBQRCE-BZSNNMDCSA-N 2 2 317.477 2.255 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310316 689457780 /nfs/dbraw/zinc/45/77/80/689457780.db2.gz RVTZCQVCDYHEOU-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310316 689457782 /nfs/dbraw/zinc/45/77/82/689457782.db2.gz RVTZCQVCDYHEOU-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033949692 689670945 /nfs/dbraw/zinc/67/09/45/689670945.db2.gz KONKAVWXUBCGGX-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033949692 689670949 /nfs/dbraw/zinc/67/09/49/689670949.db2.gz KONKAVWXUBCGGX-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP N#CCc1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931286570 694357003 /nfs/dbraw/zinc/35/70/03/694357003.db2.gz UQFBUYZRKISQMH-UHFFFAOYSA-N 2 2 313.445 2.439 20 30 DEEDLP N#CCc1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931286570 694357007 /nfs/dbraw/zinc/35/70/07/694357007.db2.gz UQFBUYZRKISQMH-UHFFFAOYSA-N 2 2 313.445 2.439 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036733334 690450613 /nfs/dbraw/zinc/45/06/13/690450613.db2.gz AFTHYFGQBKNKOP-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036733334 690450615 /nfs/dbraw/zinc/45/06/15/690450615.db2.gz AFTHYFGQBKNKOP-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036733334 690450618 /nfs/dbraw/zinc/45/06/18/690450618.db2.gz AFTHYFGQBKNKOP-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036733334 690450620 /nfs/dbraw/zinc/45/06/20/690450620.db2.gz AFTHYFGQBKNKOP-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751022 690458896 /nfs/dbraw/zinc/45/88/96/690458896.db2.gz WUUKJAZISOGYBF-SUMWQHHRSA-N 2 2 310.401 2.285 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751022 690458900 /nfs/dbraw/zinc/45/89/00/690458900.db2.gz WUUKJAZISOGYBF-SUMWQHHRSA-N 2 2 310.401 2.285 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037828724 690619502 /nfs/dbraw/zinc/61/95/02/690619502.db2.gz QHYXPFRFVDLWKY-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CC ZINC001037848792 690622676 /nfs/dbraw/zinc/62/26/76/690622676.db2.gz DFDSJRMJPMJOAT-GOEBONIOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037848792 690622678 /nfs/dbraw/zinc/62/26/78/690622678.db2.gz DFDSJRMJPMJOAT-GOEBONIOSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038254434 690759839 /nfs/dbraw/zinc/75/98/39/690759839.db2.gz RJJDINVLZOEOSQ-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038254434 690759840 /nfs/dbraw/zinc/75/98/40/690759840.db2.gz RJJDINVLZOEOSQ-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931517310 694418850 /nfs/dbraw/zinc/41/88/50/694418850.db2.gz WSXRHEKCEGZPJY-UHFFFAOYSA-N 2 2 320.396 2.032 20 30 DEEDLP N#CC1(CCC[N@H+]2CCc3[nH+]ccc(N)c3C2)CCOCC1 ZINC000931517637 694418531 /nfs/dbraw/zinc/41/85/31/694418531.db2.gz JVQLPZSFTCXPFG-UHFFFAOYSA-N 2 2 300.406 2.122 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236848 691064010 /nfs/dbraw/zinc/06/40/10/691064010.db2.gz DKJPRWDIQIKSDI-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236848 691064011 /nfs/dbraw/zinc/06/40/11/691064011.db2.gz DKJPRWDIQIKSDI-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255491 691071314 /nfs/dbraw/zinc/07/13/14/691071314.db2.gz AYSWIOZKNIFCST-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039255491 691071316 /nfs/dbraw/zinc/07/13/16/691071316.db2.gz AYSWIOZKNIFCST-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493527 691255683 /nfs/dbraw/zinc/25/56/83/691255683.db2.gz NCGXSLIBVVNOSW-SFHVURJKSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493527 691255687 /nfs/dbraw/zinc/25/56/87/691255687.db2.gz NCGXSLIBVVNOSW-SFHVURJKSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040508883 691259041 /nfs/dbraw/zinc/25/90/41/691259041.db2.gz COEOIXSKLNTYNH-SFHVURJKSA-N 2 2 316.449 2.151 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040508883 691259044 /nfs/dbraw/zinc/25/90/44/691259044.db2.gz COEOIXSKLNTYNH-SFHVURJKSA-N 2 2 316.449 2.151 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787060 691430861 /nfs/dbraw/zinc/43/08/61/691430861.db2.gz MNOCDQHXUBFJBS-GOSISDBHSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787060 691430863 /nfs/dbraw/zinc/43/08/63/691430863.db2.gz MNOCDQHXUBFJBS-GOSISDBHSA-N 2 2 316.449 2.188 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC000883131093 691435888 /nfs/dbraw/zinc/43/58/88/691435888.db2.gz FZRNZSKZZTTZGQ-UHFFFAOYSA-N 2 2 314.408 2.365 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC000883131093 691435891 /nfs/dbraw/zinc/43/58/91/691435891.db2.gz FZRNZSKZZTTZGQ-UHFFFAOYSA-N 2 2 314.408 2.365 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115725 691512566 /nfs/dbraw/zinc/51/25/66/691512566.db2.gz ZKUALPUWFJSXNU-JKSUJKDBSA-N 2 2 316.449 2.035 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115725 691512569 /nfs/dbraw/zinc/51/25/69/691512569.db2.gz ZKUALPUWFJSXNU-JKSUJKDBSA-N 2 2 316.449 2.035 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042175266 691528962 /nfs/dbraw/zinc/52/89/62/691528962.db2.gz AREZEJDUHYCNFY-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042175266 691528963 /nfs/dbraw/zinc/52/89/63/691528963.db2.gz AREZEJDUHYCNFY-DLBZAZTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001043881496 691745495 /nfs/dbraw/zinc/74/54/95/691745495.db2.gz YSXFUCGYQIBLBG-UHFFFAOYSA-N 2 2 315.461 2.123 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049528861 692913195 /nfs/dbraw/zinc/91/31/95/692913195.db2.gz BMQOQLJXLDZIHP-MUIFIZLQSA-N 2 2 314.433 2.155 20 30 DEEDLP 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C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050160811 693125594 /nfs/dbraw/zinc/12/55/94/693125594.db2.gz UNRINRGJKDEGRW-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050160811 693125596 /nfs/dbraw/zinc/12/55/96/693125596.db2.gz UNRINRGJKDEGRW-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050160811 693125598 /nfs/dbraw/zinc/12/55/98/693125598.db2.gz UNRINRGJKDEGRW-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050160811 693125599 /nfs/dbraw/zinc/12/55/99/693125599.db2.gz UNRINRGJKDEGRW-HLLBOEOZSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104316 693690164 /nfs/dbraw/zinc/69/01/64/693690164.db2.gz ODTGETSHXXKWLG-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104316 693690167 /nfs/dbraw/zinc/69/01/67/693690167.db2.gz ODTGETSHXXKWLG-HOTGVXAUSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001332260356 1149841255 /nfs/dbraw/zinc/84/12/55/1149841255.db2.gz JWMSXWLHEKCPPC-GOEBONIOSA-N 2 2 312.417 2.317 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001381762973 1153212461 /nfs/dbraw/zinc/21/24/61/1153212461.db2.gz HWLYAAGMHGHINF-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001381762973 1153212467 /nfs/dbraw/zinc/21/24/67/1153212467.db2.gz HWLYAAGMHGHINF-HUUCEWRRSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001389675865 1155393503 /nfs/dbraw/zinc/39/35/03/1155393503.db2.gz NWMFJBWALCIDSP-OCCSQVGLSA-N 2 2 310.829 2.071 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001393520079 1157849102 /nfs/dbraw/zinc/84/91/02/1157849102.db2.gz UNTRHPIJJRQFGQ-CQSZACIVSA-N 2 2 324.856 2.076 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001394248513 1158394906 /nfs/dbraw/zinc/39/49/06/1158394906.db2.gz TVTWNQOOQACEPR-ZDUSSCGKSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001400714453 1161807092 /nfs/dbraw/zinc/80/70/92/1161807092.db2.gz CUULRMCHEGENIJ-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001400714453 1161807094 /nfs/dbraw/zinc/80/70/94/1161807094.db2.gz CUULRMCHEGENIJ-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001400714453 1161807096 /nfs/dbraw/zinc/80/70/96/1161807096.db2.gz CUULRMCHEGENIJ-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001400714453 1161807099 /nfs/dbraw/zinc/80/70/99/1161807099.db2.gz CUULRMCHEGENIJ-HUUCEWRRSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001406641899 1164755076 /nfs/dbraw/zinc/75/50/76/1164755076.db2.gz ZDHSRQQFIPPYMH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001406641899 1164755084 /nfs/dbraw/zinc/75/50/84/1164755084.db2.gz ZDHSRQQFIPPYMH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001406641899 1164755092 /nfs/dbraw/zinc/75/50/92/1164755092.db2.gz ZDHSRQQFIPPYMH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001406641899 1164755098 /nfs/dbraw/zinc/75/50/98/1164755098.db2.gz ZDHSRQQFIPPYMH-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001418257818 1167524119 /nfs/dbraw/zinc/52/41/19/1167524119.db2.gz RBUKYOKWFTZWLM-CYBMUJFWSA-N 2 2 318.808 2.333 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001420022531 1169072288 /nfs/dbraw/zinc/07/22/88/1169072288.db2.gz NPUDCWKRKLRYRU-UONOGXRCSA-N 2 2 324.856 2.122 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001421574273 1171854312 /nfs/dbraw/zinc/85/43/12/1171854312.db2.gz JPHPUUJAVWLYHT-CJNGLKHVSA-N 2 2 324.856 2.290 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001422576339 1172723203 /nfs/dbraw/zinc/72/32/03/1172723203.db2.gz QKJBXNSYVCDVBR-CYBMUJFWSA-N 2 2 312.845 2.161 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001422576339 1172723208 /nfs/dbraw/zinc/72/32/08/1172723208.db2.gz QKJBXNSYVCDVBR-CYBMUJFWSA-N 2 2 312.845 2.161 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001436694244 1179194245 /nfs/dbraw/zinc/19/42/45/1179194245.db2.gz KZIGCOIXUCAZCH-CQSZACIVSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001436694244 1179194255 /nfs/dbraw/zinc/19/42/55/1179194255.db2.gz KZIGCOIXUCAZCH-CQSZACIVSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001436694244 1179194260 /nfs/dbraw/zinc/19/42/60/1179194260.db2.gz KZIGCOIXUCAZCH-CQSZACIVSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001436694244 1179194271 /nfs/dbraw/zinc/19/42/71/1179194271.db2.gz KZIGCOIXUCAZCH-CQSZACIVSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001437036495 1179366470 /nfs/dbraw/zinc/36/64/70/1179366470.db2.gz PCVSJWLOCBOGGY-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001437036495 1179366479 /nfs/dbraw/zinc/36/64/79/1179366479.db2.gz PCVSJWLOCBOGGY-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001437036495 1179366489 /nfs/dbraw/zinc/36/64/89/1179366489.db2.gz PCVSJWLOCBOGGY-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001437036495 1179366498 /nfs/dbraw/zinc/36/64/98/1179366498.db2.gz PCVSJWLOCBOGGY-HNNXBMFYSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437309049 1179709113 /nfs/dbraw/zinc/70/91/13/1179709113.db2.gz HWPBDYCLDYGMJU-KGLIPLIRSA-N 2 2 310.829 2.025 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437902967 1180061218 /nfs/dbraw/zinc/06/12/18/1180061218.db2.gz ITSFHMPYQQMHKP-GJZGRUSLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437902967 1180061224 /nfs/dbraw/zinc/06/12/24/1180061224.db2.gz ITSFHMPYQQMHKP-GJZGRUSLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001437902967 1180061233 /nfs/dbraw/zinc/06/12/33/1180061233.db2.gz ITSFHMPYQQMHKP-GJZGRUSLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001437902967 1180061241 /nfs/dbraw/zinc/06/12/41/1180061241.db2.gz ITSFHMPYQQMHKP-GJZGRUSLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001438772286 1180809239 /nfs/dbraw/zinc/80/92/39/1180809239.db2.gz LOVGQOBSTLRXEV-IAQYHMDHSA-N 2 2 324.856 2.230 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001440990683 1181815124 /nfs/dbraw/zinc/81/51/24/1181815124.db2.gz IJHLBTBVADSPCZ-JSGCOSHPSA-N 2 2 310.829 2.064 20 30 DEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)n1C ZINC001444207791 1183315205 /nfs/dbraw/zinc/31/52/05/1183315205.db2.gz RVDFOOGZNNXBSV-UHFFFAOYSA-N 2 2 306.329 2.038 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877195 783023513 /nfs/dbraw/zinc/02/35/13/783023513.db2.gz RKRABFQQSZHYDK-BZUAXINKSA-N 2 2 318.465 2.001 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088356205 780018083 /nfs/dbraw/zinc/01/80/83/780018083.db2.gz TZIQBXZWCQETBI-HNNXBMFYSA-N 2 2 324.856 2.387 20 30 DEEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570344 780768911 /nfs/dbraw/zinc/76/89/11/780768911.db2.gz NMVFKHGDFKEWIA-OAHLLOKOSA-N 2 2 316.449 2.279 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303152 781203267 /nfs/dbraw/zinc/20/32/67/781203267.db2.gz LMDRELWQAIHWET-IXDOHACOSA-N 2 2 316.449 2.333 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303152 781203272 /nfs/dbraw/zinc/20/32/72/781203272.db2.gz LMDRELWQAIHWET-IXDOHACOSA-N 2 2 316.449 2.333 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274974 783488380 /nfs/dbraw/zinc/48/83/80/783488380.db2.gz NRHSBIMFPPJPTD-SRABZTEZSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274974 783488387 /nfs/dbraw/zinc/48/83/87/783488387.db2.gz NRHSBIMFPPJPTD-SRABZTEZSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969023110 784693533 /nfs/dbraw/zinc/69/35/33/784693533.db2.gz NIKHEHZDCXUHLH-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969023110 784693540 /nfs/dbraw/zinc/69/35/40/784693540.db2.gz NIKHEHZDCXUHLH-LSDHHAIUSA-N 2 2 316.449 2.376 20 30 DEEDLP Cc1cc(Cl)nc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C#N ZINC001156176756 784846747 /nfs/dbraw/zinc/84/67/47/784846747.db2.gz UHFDYSQDWQBSTP-UHFFFAOYSA-N 2 2 321.856 2.353 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007332581 784890107 /nfs/dbraw/zinc/89/01/07/784890107.db2.gz JIJJPIROTRGREY-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007332581 784890112 /nfs/dbraw/zinc/89/01/12/784890112.db2.gz JIJJPIROTRGREY-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP CCCCCCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001113597816 786714156 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C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001490604557 1093442876 /nfs/dbraw/zinc/44/28/76/1093442876.db2.gz NNVFFQHQHLPXME-GDBMZVCRSA-N 2 2 316.449 2.135 20 30 DEEDLP C[NH+]1CCN(c2cc(C[NH+]3CCC(C#N)CC3)ccc2F)CC1 ZINC001236969748 1138470997 /nfs/dbraw/zinc/47/09/97/1138470997.db2.gz PPLPEVHWPLJXSY-UHFFFAOYSA-N 2 2 316.424 2.313 20 30 DEEDLP C#CC[N@@H+](CC#CC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319948136 1140806049 /nfs/dbraw/zinc/80/60/49/1140806049.db2.gz INUUXRLBSQKBOS-UHFFFAOYSA-N 2 2 313.420 2.036 20 30 DEEDLP C#CC[N@H+](CC#CC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319948136 1140806050 /nfs/dbraw/zinc/80/60/50/1140806050.db2.gz INUUXRLBSQKBOS-UHFFFAOYSA-N 2 2 313.420 2.036 20 30 DEEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245981425 1140841504 /nfs/dbraw/zinc/84/15/04/1140841504.db2.gz BFEKOLIDXPPJLU-QZTJIDSGSA-N 3 2 323.525 2.338 20 30 DEEDLP C=C(C)CC[NH+]1CCC(C)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001278632164 1142391341 /nfs/dbraw/zinc/39/13/41/1142391341.db2.gz HZZLHXKVNOVAHC-UHFFFAOYSA-N 2 2 304.438 2.137 20 30 DEEDLP CCCCCCCC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252140608 1142654969 /nfs/dbraw/zinc/65/49/69/1142654969.db2.gz CBWXZOWFKFQQNL-MRXNPFEDSA-N 2 2 300.487 2.144 20 30 DEEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254860592 1143341556 /nfs/dbraw/zinc/34/15/56/1143341556.db2.gz RPFMZYTVLSXZMU-FHWLQOOXSA-N 2 2 320.477 2.297 20 30 DEEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254860592 1143341565 /nfs/dbraw/zinc/34/15/65/1143341565.db2.gz RPFMZYTVLSXZMU-FHWLQOOXSA-N 2 2 320.477 2.297 20 30 DEEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001256077062 1143827891 /nfs/dbraw/zinc/82/78/91/1143827891.db2.gz MLTRNIOAJDLPLQ-IBGZPJMESA-N 2 2 317.477 2.114 20 30 DEEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001256077062 1143827892 /nfs/dbraw/zinc/82/78/92/1143827892.db2.gz MLTRNIOAJDLPLQ-IBGZPJMESA-N 2 2 317.477 2.114 20 30 DEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001279103588 1144091740 /nfs/dbraw/zinc/09/17/40/1144091740.db2.gz RZVWBPZTXAMVTE-BBRMVZONSA-N 2 2 312.417 2.126 20 30 DEEDLP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001264024141 1144443108 /nfs/dbraw/zinc/44/31/08/1144443108.db2.gz VCAVQBPKQQUQDQ-HZPDHXFCSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001264394985 1144527877 /nfs/dbraw/zinc/52/78/77/1144527877.db2.gz HIIKUECKJCHFJQ-FZNQNYSPSA-N 2 2 317.433 2.083 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265004818 1144623051 /nfs/dbraw/zinc/62/30/51/1144623051.db2.gz XROIPYDSWVIKFF-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265004818 1144623054 /nfs/dbraw/zinc/62/30/54/1144623054.db2.gz XROIPYDSWVIKFF-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265657933 1144723815 /nfs/dbraw/zinc/72/38/15/1144723815.db2.gz NODQDQSRUAXSAU-MSOLQXFVSA-N 2 2 315.461 2.446 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265657933 1144723817 /nfs/dbraw/zinc/72/38/17/1144723817.db2.gz NODQDQSRUAXSAU-MSOLQXFVSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001279273653 1144819935 /nfs/dbraw/zinc/81/99/35/1144819935.db2.gz UKAXOMGGDCIYGU-QAQDUYKDSA-N 2 2 318.465 2.362 20 30 DEEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001280441043 1144839852 /nfs/dbraw/zinc/83/98/52/1144839852.db2.gz TZOPZSTWRHFVEL-QGZVFWFLSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001281943260 1144921648 /nfs/dbraw/zinc/92/16/48/1144921648.db2.gz XRAMGOBMKINSAO-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001281943260 1144921651 /nfs/dbraw/zinc/92/16/51/1144921651.db2.gz XRAMGOBMKINSAO-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284031598 1145761325 /nfs/dbraw/zinc/76/13/25/1145761325.db2.gz KSSUUMBWXYZAEF-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001317172180 1147670467 /nfs/dbraw/zinc/67/04/67/1147670467.db2.gz FAVHXBHQFGTDSB-INIZCTEOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001317172180 1147670468 /nfs/dbraw/zinc/67/04/68/1147670468.db2.gz FAVHXBHQFGTDSB-INIZCTEOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CC[NH2+]CC[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001326273075 1148067296 /nfs/dbraw/zinc/06/72/96/1148067296.db2.gz QDPFWWDRVNLPDX-HNNXBMFYSA-N 2 2 312.417 2.271 20 30 DEEDLP C[C@@H](O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000278776630 214392117 /nfs/dbraw/zinc/39/21/17/214392117.db2.gz LLOUIUOYDOPVCP-OAHLLOKOSA-N 2 2 301.434 2.273 20 30 DEEDLP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000331486417 529973674 /nfs/dbraw/zinc/97/36/74/529973674.db2.gz UUMCLGOTNLAKBB-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000331486417 529973675 /nfs/dbraw/zinc/97/36/75/529973675.db2.gz UUMCLGOTNLAKBB-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000331486417 529973677 /nfs/dbraw/zinc/97/36/77/529973677.db2.gz UUMCLGOTNLAKBB-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000331486417 529973678 /nfs/dbraw/zinc/97/36/78/529973678.db2.gz UUMCLGOTNLAKBB-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC1CCCCCC1 ZINC000092277064 355623947 /nfs/dbraw/zinc/62/39/47/355623947.db2.gz JAJRWGWVSUZHHA-UHFFFAOYSA-N 2 2 312.421 2.394 20 30 DEEDLP N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2c1 ZINC000093865895 355688474 /nfs/dbraw/zinc/68/84/74/355688474.db2.gz LAEHFPLWUAQZBV-QGZVFWFLSA-N 2 2 319.368 2.254 20 30 DEEDLP N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2c1 ZINC000093865895 355688476 /nfs/dbraw/zinc/68/84/76/355688476.db2.gz LAEHFPLWUAQZBV-QGZVFWFLSA-N 2 2 319.368 2.254 20 30 DEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000581998069 357282112 /nfs/dbraw/zinc/28/21/12/357282112.db2.gz SIDDXUUMXMZKTC-QZTJIDSGSA-N 2 2 318.461 2.229 20 30 DEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000581998069 357282116 /nfs/dbraw/zinc/28/21/16/357282116.db2.gz SIDDXUUMXMZKTC-QZTJIDSGSA-N 2 2 318.461 2.229 20 30 DEEDLP CN(C(=O)CCCCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588648414 357414033 /nfs/dbraw/zinc/41/40/33/357414033.db2.gz WSQDESBFHFBEGA-KRWDZBQOSA-N 2 2 320.481 2.087 20 30 DEEDLP CN(C(=O)CCCCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588648414 357414036 /nfs/dbraw/zinc/41/40/36/357414036.db2.gz WSQDESBFHFBEGA-KRWDZBQOSA-N 2 2 320.481 2.087 20 30 DEEDLP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323579 358054637 /nfs/dbraw/zinc/05/46/37/358054637.db2.gz QHIUJTQYVHAEOK-LSDHHAIUSA-N 3 2 300.450 2.238 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C#N)c1ccccc1 ZINC000595391425 358438628 /nfs/dbraw/zinc/43/86/28/358438628.db2.gz KTHWXAYABIEOQM-GOSISDBHSA-N 2 2 300.450 2.209 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C#N)c1ccccc1 ZINC000595391425 358438633 /nfs/dbraw/zinc/43/86/33/358438633.db2.gz KTHWXAYABIEOQM-GOSISDBHSA-N 2 2 300.450 2.209 20 30 DEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598587526 359252415 /nfs/dbraw/zinc/25/24/15/359252415.db2.gz BLIOMACUPRSCHC-GJZGRUSLSA-N 2 2 304.438 2.383 20 30 DEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598587526 359252421 /nfs/dbraw/zinc/25/24/21/359252421.db2.gz BLIOMACUPRSCHC-GJZGRUSLSA-N 2 2 304.438 2.383 20 30 DEEDLP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000292866936 223283018 /nfs/dbraw/zinc/28/30/18/223283018.db2.gz VWLHBWNXVJTBJN-INIZCTEOSA-N 2 2 319.368 2.254 20 30 DEEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000292866936 223283020 /nfs/dbraw/zinc/28/30/20/223283020.db2.gz VWLHBWNXVJTBJN-INIZCTEOSA-N 2 2 319.368 2.254 20 30 DEEDLP C=CCc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(OC)c1O ZINC000194537188 201247330 /nfs/dbraw/zinc/24/73/30/201247330.db2.gz AQQPGFCSVJDAIR-IYBDPMFKSA-N 2 2 302.418 2.123 20 30 DEEDLP C=CCc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(OC)c1O ZINC000194537188 201247332 /nfs/dbraw/zinc/24/73/32/201247332.db2.gz AQQPGFCSVJDAIR-IYBDPMFKSA-N 2 2 302.418 2.123 20 30 DEEDLP C=CCc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(OC)c1O ZINC000194537188 201247336 /nfs/dbraw/zinc/24/73/36/201247336.db2.gz AQQPGFCSVJDAIR-IYBDPMFKSA-N 2 2 302.418 2.123 20 30 DEEDLP C=CCc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(OC)c1O ZINC000194537188 201247339 /nfs/dbraw/zinc/24/73/39/201247339.db2.gz AQQPGFCSVJDAIR-IYBDPMFKSA-N 2 2 302.418 2.123 20 30 DEEDLP C=C[C@H](C(=O)OC)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000619718232 363865177 /nfs/dbraw/zinc/86/51/77/363865177.db2.gz FGTKJFBUABVRIT-MRXNPFEDSA-N 2 2 317.433 2.348 20 30 DEEDLP C=C[C@H](C(=O)OC)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000619718232 363865181 /nfs/dbraw/zinc/86/51/81/363865181.db2.gz FGTKJFBUABVRIT-MRXNPFEDSA-N 2 2 317.433 2.348 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795293 194286297 /nfs/dbraw/zinc/28/62/97/194286297.db2.gz OWNLJXPBAZBPAD-AWEZNQCLSA-N 2 2 323.400 2.419 20 30 DEEDLP C=CCOc1cccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000155506749 197061264 /nfs/dbraw/zinc/06/12/64/197061264.db2.gz KMZWEZILVMBTNZ-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CCOc1cccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000155506749 197061266 /nfs/dbraw/zinc/06/12/66/197061266.db2.gz KMZWEZILVMBTNZ-UHFFFAOYSA-N 2 2 304.434 2.140 20 30 DEEDLP N#Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000120792702 195238912 /nfs/dbraw/zinc/23/89/12/195238912.db2.gz DAGISHFRIUSNEW-MRXNPFEDSA-N 2 2 317.408 2.242 20 30 DEEDLP N#Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000120792702 195238915 /nfs/dbraw/zinc/23/89/15/195238915.db2.gz DAGISHFRIUSNEW-MRXNPFEDSA-N 2 2 317.408 2.242 20 30 DEEDLP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000376557615 133300655 /nfs/dbraw/zinc/30/06/55/133300655.db2.gz KJJKRJAPHURTIN-QZTJIDSGSA-N 2 2 309.369 2.140 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000154138950 402194801 /nfs/dbraw/zinc/19/48/01/402194801.db2.gz LDTDKKOIMKFEKH-QGZVFWFLSA-N 2 2 322.368 2.045 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000154138950 402194804 /nfs/dbraw/zinc/19/48/04/402194804.db2.gz LDTDKKOIMKFEKH-QGZVFWFLSA-N 2 2 322.368 2.045 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265472565 402922278 /nfs/dbraw/zinc/92/22/78/402922278.db2.gz IQMPEQOHZIYBPP-CYBMUJFWSA-N 2 2 323.400 2.488 20 30 DEEDLP C=CCCC[NH+](C)CCS(=O)(=O)CC[N@H+](C)CCCC=C ZINC000265596115 402932179 /nfs/dbraw/zinc/93/21/79/402932179.db2.gz ISVMXFNRGBXAKN-UHFFFAOYSA-N 2 2 316.511 2.197 20 30 DEEDLP C=CCCC[NH+](C)CCS(=O)(=O)CC[N@@H+](C)CCCC=C ZINC000265596115 402932181 /nfs/dbraw/zinc/93/21/81/402932181.db2.gz ISVMXFNRGBXAKN-UHFFFAOYSA-N 2 2 316.511 2.197 20 30 DEEDLP C=C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274679292 403077975 /nfs/dbraw/zinc/07/79/75/403077975.db2.gz WJPPSXAWCPWGEY-KRWDZBQOSA-N 2 2 301.434 2.058 20 30 DEEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000342735127 403327741 /nfs/dbraw/zinc/32/77/41/403327741.db2.gz NXRYONVNYXHNPF-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000342735127 403327743 /nfs/dbraw/zinc/32/77/43/403327743.db2.gz NXRYONVNYXHNPF-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP Cn1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000344284902 404030785 /nfs/dbraw/zinc/03/07/85/404030785.db2.gz CWJVFKDAUKAZKE-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000330426773 404657057 /nfs/dbraw/zinc/65/70/57/404657057.db2.gz IZYXDTJJLYTBAR-UHFFFAOYSA-N 2 2 320.481 2.134 20 30 DEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000330426773 404657064 /nfs/dbraw/zinc/65/70/64/404657064.db2.gz IZYXDTJJLYTBAR-UHFFFAOYSA-N 2 2 320.481 2.134 20 30 DEEDLP Cc1ccc(CCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)c[nH+]1 ZINC000353363426 404813905 /nfs/dbraw/zinc/81/39/05/404813905.db2.gz LTXFZNKSUFDNAS-UHFFFAOYSA-N 2 2 321.428 2.412 20 30 DEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353979131 404981011 /nfs/dbraw/zinc/98/10/11/404981011.db2.gz PKFYYLPPNOKWIK-BFZKSOEOSA-N 2 2 307.482 2.260 20 30 DEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353979131 404981014 /nfs/dbraw/zinc/98/10/14/404981014.db2.gz PKFYYLPPNOKWIK-BFZKSOEOSA-N 2 2 307.482 2.260 20 30 DEEDLP C[N@H+](Cc1ccc(C#N)cc1Cl)C1CC[NH+](CCO)CC1 ZINC000439446364 405279613 /nfs/dbraw/zinc/27/96/13/405279613.db2.gz DMPDNKYOMZBYLJ-UHFFFAOYSA-N 2 2 307.825 2.100 20 30 DEEDLP C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC[NH+](CCO)CC1 ZINC000439446364 405279615 /nfs/dbraw/zinc/27/96/15/405279615.db2.gz DMPDNKYOMZBYLJ-UHFFFAOYSA-N 2 2 307.825 2.100 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000420403461 405344640 /nfs/dbraw/zinc/34/46/40/405344640.db2.gz KXYFPDHUJOKOJJ-CZUORRHYSA-N 2 2 303.450 2.390 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000420403461 405344642 /nfs/dbraw/zinc/34/46/42/405344642.db2.gz KXYFPDHUJOKOJJ-CZUORRHYSA-N 2 2 303.450 2.390 20 30 DEEDLP C=CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC)c1O ZINC000427135402 405391108 /nfs/dbraw/zinc/39/11/08/405391108.db2.gz CPVWLYVJZMMQQN-HOTGVXAUSA-N 2 2 302.418 2.313 20 30 DEEDLP C=CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC)c1O ZINC000427135402 405391110 /nfs/dbraw/zinc/39/11/10/405391110.db2.gz CPVWLYVJZMMQQN-HOTGVXAUSA-N 2 2 302.418 2.313 20 30 DEEDLP C=CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC)c1O ZINC000427135401 405391132 /nfs/dbraw/zinc/39/11/32/405391132.db2.gz CPVWLYVJZMMQQN-CVEARBPZSA-N 2 2 302.418 2.313 20 30 DEEDLP C=CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC)c1O ZINC000427135401 405391133 /nfs/dbraw/zinc/39/11/33/405391133.db2.gz CPVWLYVJZMMQQN-CVEARBPZSA-N 2 2 302.418 2.313 20 30 DEEDLP C=CCOc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1OC ZINC000634734684 406254543 /nfs/dbraw/zinc/25/45/43/406254543.db2.gz MERVWIYOAMLCNP-QAPCUYQASA-N 2 2 302.418 2.492 20 30 DEEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574098627 406779535 /nfs/dbraw/zinc/77/95/35/406779535.db2.gz ROSJAWOGRYCBGQ-GJZGRUSLSA-N 2 2 300.406 2.296 20 30 DEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000131649681 196187698 /nfs/dbraw/zinc/18/76/98/196187698.db2.gz OQCAMWVPIGDYST-UHFFFAOYSA-N 2 2 314.414 2.346 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001328288320 1148766933 /nfs/dbraw/zinc/76/69/33/1148766933.db2.gz ZEXHWDAFPZDJMB-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001328288320 1148766941 /nfs/dbraw/zinc/76/69/41/1148766941.db2.gz ZEXHWDAFPZDJMB-JKSUJKDBSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089059527 782141926 /nfs/dbraw/zinc/14/19/26/782141926.db2.gz PNXISPOTMUKELM-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089059527 782141931 /nfs/dbraw/zinc/14/19/31/782141931.db2.gz PNXISPOTMUKELM-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089059527 782141934 /nfs/dbraw/zinc/14/19/34/782141934.db2.gz PNXISPOTMUKELM-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089059527 782141938 /nfs/dbraw/zinc/14/19/38/782141938.db2.gz PNXISPOTMUKELM-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccco1 ZINC000170910037 528269569 /nfs/dbraw/zinc/26/95/69/528269569.db2.gz WXZRKYJBCFUDSN-CYBMUJFWSA-N 2 2 301.394 2.484 20 30 DEEDLP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261975064 528813397 /nfs/dbraw/zinc/81/33/97/528813397.db2.gz NOBSJGNCMPOIJW-VGWMRTNUSA-N 2 2 303.454 2.388 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001379654597 1152665680 /nfs/dbraw/zinc/66/56/80/1152665680.db2.gz JNAXSVVFQLPOQZ-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379654597 1152665681 /nfs/dbraw/zinc/66/56/81/1152665681.db2.gz JNAXSVVFQLPOQZ-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001379654597 1152665682 /nfs/dbraw/zinc/66/56/82/1152665682.db2.gz JNAXSVVFQLPOQZ-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001379654597 1152665683 /nfs/dbraw/zinc/66/56/83/1152665683.db2.gz JNAXSVVFQLPOQZ-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]12 ZINC001026400466 625414609 /nfs/dbraw/zinc/41/46/09/625414609.db2.gz KCEWMTPKGQBXSE-RBSFLKMASA-N 2 2 316.449 2.090 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970158339 623200349 /nfs/dbraw/zinc/20/03/49/623200349.db2.gz QFSZGVWEBZSWTC-GFCCVEGCSA-N 2 2 318.808 2.137 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970929627 623799201 /nfs/dbraw/zinc/79/92/01/623799201.db2.gz RMSFLNOVNUKQPI-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970929627 623799205 /nfs/dbraw/zinc/79/92/05/623799205.db2.gz RMSFLNOVNUKQPI-HIFRSBDPSA-N 2 2 313.873 2.050 20 30 DEEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612586 623833562 /nfs/dbraw/zinc/83/35/62/623833562.db2.gz COHMEAUEJLKKJS-KDOFPFPSSA-N 2 2 322.412 2.123 20 30 DEEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612586 623833568 /nfs/dbraw/zinc/83/35/68/623833568.db2.gz COHMEAUEJLKKJS-KDOFPFPSSA-N 2 2 322.412 2.123 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437113 624046604 /nfs/dbraw/zinc/04/66/04/624046604.db2.gz OTISSVTYBVIIPA-HOCLYGCPSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437113 624046608 /nfs/dbraw/zinc/04/66/08/624046608.db2.gz OTISSVTYBVIIPA-HOCLYGCPSA-N 2 2 317.433 2.178 20 30 DEEDLP C[C@H]1C[N@H+](Cc2csc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892153181 624798535 /nfs/dbraw/zinc/79/85/35/624798535.db2.gz MVIPTRSGUSXZHZ-WMLDXEAASA-N 2 2 318.490 2.078 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892153181 624798536 /nfs/dbraw/zinc/79/85/36/624798536.db2.gz MVIPTRSGUSXZHZ-WMLDXEAASA-N 2 2 318.490 2.078 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)C ZINC001024487765 625811526 /nfs/dbraw/zinc/81/15/26/625811526.db2.gz SQLHPWUBZOZVMW-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)C ZINC001024487765 625811532 /nfs/dbraw/zinc/81/15/32/625811532.db2.gz SQLHPWUBZOZVMW-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)C ZINC001024487765 625811537 /nfs/dbraw/zinc/81/15/37/625811537.db2.gz SQLHPWUBZOZVMW-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)C ZINC001024487765 625811541 /nfs/dbraw/zinc/81/15/41/625811541.db2.gz SQLHPWUBZOZVMW-MSOLQXFVSA-N 2 2 319.493 2.101 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647144 625948890 /nfs/dbraw/zinc/94/88/90/625948890.db2.gz JQMJFYLZHOVQTB-CABCVRRESA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000981891673 635713799 /nfs/dbraw/zinc/71/37/99/635713799.db2.gz PXACEVANHZOMBH-UHFFFAOYSA-N 2 2 324.428 2.448 20 30 DEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000981891673 635713803 /nfs/dbraw/zinc/71/38/03/635713803.db2.gz PXACEVANHZOMBH-UHFFFAOYSA-N 2 2 324.428 2.448 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028265766 635983868 /nfs/dbraw/zinc/98/38/68/635983868.db2.gz IZXRGUSUIRTSPJ-ZDUSSCGKSA-N 2 2 322.840 2.094 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028265766 635983870 /nfs/dbraw/zinc/98/38/70/635983870.db2.gz IZXRGUSUIRTSPJ-ZDUSSCGKSA-N 2 2 322.840 2.094 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028331748 636132629 /nfs/dbraw/zinc/13/26/29/636132629.db2.gz KJYMXHVTAOMMBS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028331748 636132631 /nfs/dbraw/zinc/13/26/31/636132631.db2.gz KJYMXHVTAOMMBS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028331748 636132632 /nfs/dbraw/zinc/13/26/32/636132632.db2.gz KJYMXHVTAOMMBS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028331748 636132634 /nfs/dbraw/zinc/13/26/34/636132634.db2.gz KJYMXHVTAOMMBS-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498439 636470655 /nfs/dbraw/zinc/47/06/55/636470655.db2.gz HLCMVGLSIBFUMG-KRWDZBQOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498439 636470658 /nfs/dbraw/zinc/47/06/58/636470658.db2.gz HLCMVGLSIBFUMG-KRWDZBQOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004624997 636502039 /nfs/dbraw/zinc/50/20/39/636502039.db2.gz NETXCRQXUNETEK-KRWDZBQOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004624997 636502044 /nfs/dbraw/zinc/50/20/44/636502044.db2.gz NETXCRQXUNETEK-KRWDZBQOSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947980380 637240333 /nfs/dbraw/zinc/24/03/33/637240333.db2.gz PDMGXIQPHOOYSH-DZGCQCFKSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947980380 637240338 /nfs/dbraw/zinc/24/03/38/637240338.db2.gz PDMGXIQPHOOYSH-DZGCQCFKSA-N 2 2 304.438 2.196 20 30 DEEDLP C=C(Br)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000747531696 638447979 /nfs/dbraw/zinc/44/79/79/638447979.db2.gz MXICJNHJXAXWKD-CYBMUJFWSA-N 2 2 305.260 2.328 20 30 DEEDLP C=C(Br)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000747531696 638447981 /nfs/dbraw/zinc/44/79/81/638447981.db2.gz MXICJNHJXAXWKD-CYBMUJFWSA-N 2 2 305.260 2.328 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000764428948 640634968 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324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993353067 647624811 /nfs/dbraw/zinc/62/48/11/647624811.db2.gz QPUGEKBTIZGZFZ-NVXWUHKLSA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993488300 647685365 /nfs/dbraw/zinc/68/53/65/647685365.db2.gz PJMAXQXXRWYFMK-UKRRQHHQSA-N 2 2 310.401 2.169 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993488300 647685367 /nfs/dbraw/zinc/68/53/67/647685367.db2.gz PJMAXQXXRWYFMK-UKRRQHHQSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823920169 648499793 /nfs/dbraw/zinc/49/97/93/648499793.db2.gz ZBCGPMGVFQPTRH-ZDUSSCGKSA-N 2 2 312.421 2.168 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186722 649018631 /nfs/dbraw/zinc/01/86/31/649018631.db2.gz PQKPARKAGCYAPL-HNNXBMFYSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 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NIXBGINTHKLJHY-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001393877193 1158038672 /nfs/dbraw/zinc/03/86/72/1158038672.db2.gz NIXBGINTHKLJHY-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393877193 1158038679 /nfs/dbraw/zinc/03/86/79/1158038679.db2.gz NIXBGINTHKLJHY-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000392841271 685450682 /nfs/dbraw/zinc/45/06/82/685450682.db2.gz ZXUYOSASYOHEMY-CQSZACIVSA-N 2 2 302.418 2.063 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000392841271 685450685 /nfs/dbraw/zinc/45/06/85/685450685.db2.gz ZXUYOSASYOHEMY-CQSZACIVSA-N 2 2 302.418 2.063 20 30 DEEDLP COc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C)cc1OC ZINC000303784531 685234548 /nfs/dbraw/zinc/23/45/48/685234548.db2.gz PFQXZMQVNVJICJ-CYBMUJFWSA-N 2 2 322.453 2.009 20 30 DEEDLP 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C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034275895 689791061 /nfs/dbraw/zinc/79/10/61/689791061.db2.gz GKRCSRKHBKDJJM-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034275895 689791063 /nfs/dbraw/zinc/79/10/63/689791063.db2.gz GKRCSRKHBKDJJM-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035704693 690156047 /nfs/dbraw/zinc/15/60/47/690156047.db2.gz HHRAXBPIBUWBAW-UHFFFAOYSA-N 2 2 324.428 2.367 20 30 DEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035835404 690188491 /nfs/dbraw/zinc/18/84/91/690188491.db2.gz QLHPKSXFWCYWMF-UHFFFAOYSA-N 2 2 316.449 2.188 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751020 690458746 /nfs/dbraw/zinc/45/87/46/690458746.db2.gz WUUKJAZISOGYBF-DYVFJYSZSA-N 2 2 310.401 2.285 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751020 690458747 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/nfs/dbraw/zinc/45/11/76/794451176.db2.gz IPWMBOKTWNYYPA-UHFFFAOYSA-N 2 2 311.223 2.199 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885514 794512806 /nfs/dbraw/zinc/51/28/06/794512806.db2.gz RIOJLDSQFDQADZ-BQFCYCMXSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885514 794512811 /nfs/dbraw/zinc/51/28/11/794512811.db2.gz RIOJLDSQFDQADZ-BQFCYCMXSA-N 2 2 316.449 2.381 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580980 794828632 /nfs/dbraw/zinc/82/86/32/794828632.db2.gz ZEGRMKLNAVXAMW-HUUCEWRRSA-N 2 2 316.449 2.498 20 30 DEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580980 794828639 /nfs/dbraw/zinc/82/86/39/794828639.db2.gz ZEGRMKLNAVXAMW-HUUCEWRRSA-N 2 2 316.449 2.498 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115603580 794837553 /nfs/dbraw/zinc/83/75/53/794837553.db2.gz RPJVKHJRQQLQDF-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182579792 795709828 /nfs/dbraw/zinc/70/98/28/795709828.db2.gz OPXQDDBSTYHVGS-HBUWYVDXSA-N 2 2 316.449 2.090 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184274095 796020221 /nfs/dbraw/zinc/02/02/21/796020221.db2.gz MOJXMVWLHUKFQM-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184853154 796129462 /nfs/dbraw/zinc/12/94/62/796129462.db2.gz YLDYTUGKHXIMMA-RHSMWYFYSA-N 2 2 313.445 2.328 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186747299 796437186 /nfs/dbraw/zinc/43/71/86/796437186.db2.gz GIQMHWDQYJMXOK-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480985 797009483 /nfs/dbraw/zinc/00/94/83/797009483.db2.gz OQTLECMRHTVMRC-DLBZAZTESA-N 2 2 318.465 2.386 20 30 DEEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480985 797009491 /nfs/dbraw/zinc/00/94/91/797009491.db2.gz OQTLECMRHTVMRC-DLBZAZTESA-N 2 2 318.465 2.386 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899681 797095315 /nfs/dbraw/zinc/09/53/15/797095315.db2.gz LQQZOEZOMLNVFD-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190899681 797095319 /nfs/dbraw/zinc/09/53/19/797095319.db2.gz LQQZOEZOMLNVFD-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293294 797355677 /nfs/dbraw/zinc/35/56/77/797355677.db2.gz HMHOGTQXOUWBBZ-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192293294 797355683 /nfs/dbraw/zinc/35/56/83/797355683.db2.gz HMHOGTQXOUWBBZ-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201175533 798718487 /nfs/dbraw/zinc/71/84/87/798718487.db2.gz ZFMLAURLYOHZAO-INIZCTEOSA-N 2 2 304.438 2.237 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588824 798775236 /nfs/dbraw/zinc/77/52/36/798775236.db2.gz MAPROBGGCZHLOY-UHFFFAOYSA-N 2 2 312.417 2.495 20 30 DEEDLP N#CCc1cc[nH+]c(NCC2(c3cccnc3)CC[NH2+]CC2)c1 ZINC001162035998 799000489 /nfs/dbraw/zinc/00/04/89/799000489.db2.gz DDXGRBVVEUTOPL-UHFFFAOYSA-N 2 2 307.401 2.276 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593700 799749043 /nfs/dbraw/zinc/74/90/43/799749043.db2.gz NODKPKVBELVZNU-HUUCEWRRSA-N 2 2 316.449 2.356 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593700 799749045 /nfs/dbraw/zinc/74/90/45/799749045.db2.gz NODKPKVBELVZNU-HUUCEWRRSA-N 2 2 316.449 2.356 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203660041 800102617 /nfs/dbraw/zinc/10/26/17/800102617.db2.gz NUDZKTVMKJVCQR-JKSUJKDBSA-N 2 2 316.449 2.244 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127911 800845570 /nfs/dbraw/zinc/84/55/70/800845570.db2.gz NBGVSZZLPOOFQN-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111127911 800845576 /nfs/dbraw/zinc/84/55/76/800845576.db2.gz NBGVSZZLPOOFQN-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127911 800845586 /nfs/dbraw/zinc/84/55/86/800845586.db2.gz NBGVSZZLPOOFQN-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111127911 800845591 /nfs/dbraw/zinc/84/55/91/800845591.db2.gz NBGVSZZLPOOFQN-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCCCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230034315 801353204 /nfs/dbraw/zinc/35/32/04/801353204.db2.gz INHLJXNCBQKRDT-UHFFFAOYSA-N 2 2 318.465 2.290 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681075 801893904 /nfs/dbraw/zinc/89/39/04/801893904.db2.gz REXFIHCZCJWNRV-GDBMZVCRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227867492 803289847 /nfs/dbraw/zinc/28/98/47/803289847.db2.gz HAUYYKMTFCXWAF-NUEKZKHPSA-N 2 2 316.449 2.449 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227867492 803289849 /nfs/dbraw/zinc/28/98/49/803289849.db2.gz HAUYYKMTFCXWAF-NUEKZKHPSA-N 2 2 316.449 2.449 20 30 DEEDLP CC#CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001574969411 1069313444 /nfs/dbraw/zinc/31/34/44/1069313444.db2.gz ILHZIXZRSAJJRE-MSOLQXFVSA-N 2 2 314.429 2.053 20 30 DEEDLP CC#CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001574969411 1069313430 /nfs/dbraw/zinc/31/34/30/1069313430.db2.gz ILHZIXZRSAJJRE-MSOLQXFVSA-N 2 2 314.429 2.053 20 30 DEEDLP CC#CC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001574970675 1069314610 /nfs/dbraw/zinc/31/46/10/1069314610.db2.gz XYVYIFNHAWLQNT-JSGCOSHPSA-N 2 2 320.462 2.054 20 30 DEEDLP CC#CC[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001574970675 1069314594 /nfs/dbraw/zinc/31/45/94/1069314594.db2.gz XYVYIFNHAWLQNT-JSGCOSHPSA-N 2 2 320.462 2.054 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001403928749 1163302630 /nfs/dbraw/zinc/30/26/30/1163302630.db2.gz RPFNEEGAOUWDHA-UHFFFAOYSA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001500399823 1058751402 /nfs/dbraw/zinc/75/14/02/1058751402.db2.gz RPOCDLDXYOIGCA-SFHVURJKSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001501624985 1059583938 /nfs/dbraw/zinc/58/39/38/1059583938.db2.gz AWMQBZJGLJCKTL-HZPDHXFCSA-N 2 2 304.438 2.239 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001505447768 1060612259 /nfs/dbraw/zinc/61/22/59/1060612259.db2.gz COFDLZBLBFHBQN-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001505447768 1060612276 /nfs/dbraw/zinc/61/22/76/1060612276.db2.gz COFDLZBLBFHBQN-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001505507089 1060667010 /nfs/dbraw/zinc/66/70/10/1060667010.db2.gz XBVORGARMZUGIM-UHFFFAOYSA-N 2 2 318.808 2.185 20 30 DEEDLP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001479519939 1061488322 /nfs/dbraw/zinc/48/83/22/1061488322.db2.gz QZOPYKZJOIAUNU-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001479737974 1061663976 /nfs/dbraw/zinc/66/39/76/1061663976.db2.gz RFMRSDMNFDCKMO-SJORKVTESA-N 2 2 316.449 2.170 20 30 DEEDLP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001479737974 1061663985 /nfs/dbraw/zinc/66/39/85/1061663985.db2.gz RFMRSDMNFDCKMO-SJORKVTESA-N 2 2 316.449 2.170 20 30 DEEDLP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479822833 1061841343 /nfs/dbraw/zinc/84/13/43/1061841343.db2.gz CSHVTGXKIVDLMJ-HUUCEWRRSA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480210280 1062468680 /nfs/dbraw/zinc/46/86/80/1062468680.db2.gz BVPBCUNLGJOROR-FPCVCCKLSA-N 2 2 316.449 2.037 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001506890084 1062476156 /nfs/dbraw/zinc/47/61/56/1062476156.db2.gz BQQLAZSCACVXII-SHTZXODSSA-N 2 2 312.417 2.399 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480481651 1062920451 /nfs/dbraw/zinc/92/04/51/1062920451.db2.gz WCHQBHFZZRTPBY-KGLIPLIRSA-N 2 2 312.845 2.317 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001507363530 1063157106 /nfs/dbraw/zinc/15/71/06/1063157106.db2.gz LWGIXJXPHIBTKW-HRCADAONSA-N 2 2 316.449 2.135 20 30 DEEDLP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001507962659 1063482246 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DEEDLP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568522701 1064932253 /nfs/dbraw/zinc/93/22/53/1064932253.db2.gz DYPABGUWUCVESZ-SJORKVTESA-N 2 2 324.428 2.154 20 30 DEEDLP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496063236 1065258505 /nfs/dbraw/zinc/25/85/05/1065258505.db2.gz FIHZGJGETAWXIU-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001496484351 1065502624 /nfs/dbraw/zinc/50/26/24/1065502624.db2.gz BJCIQHGQRFRGPT-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCCCC[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001569496236 1065545056 /nfs/dbraw/zinc/54/50/56/1065545056.db2.gz GXJGNRHTFCRKDG-UHFFFAOYSA-N 2 2 304.438 2.081 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001496610100 1065591978 /nfs/dbraw/zinc/59/19/78/1065591978.db2.gz BDVVLXXBYQXPPR-MCIONIFRSA-N 2 2 324.856 2.007 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496893191 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ZINC001235631526 1084480800 /nfs/dbraw/zinc/48/08/00/1084480800.db2.gz AGROFNTXAXWEKS-IRXDYDNUSA-N 2 2 316.449 2.026 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235631526 1084480803 /nfs/dbraw/zinc/48/08/03/1084480803.db2.gz AGROFNTXAXWEKS-IRXDYDNUSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078660592 1084786753 /nfs/dbraw/zinc/78/67/53/1084786753.db2.gz KVGBIFVDGUNFEN-HZPDHXFCSA-N 2 2 310.401 2.380 20 30 DEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000964030209 1085153707 /nfs/dbraw/zinc/15/37/07/1085153707.db2.gz HMONIXWGEAUIJS-UHFFFAOYSA-N 2 2 316.449 2.130 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964037945 1085156792 /nfs/dbraw/zinc/15/67/92/1085156792.db2.gz MOFRGSADIKMGBP-UHFFFAOYSA-N 2 2 310.829 2.064 20 30 DEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001486451169 1085322984 /nfs/dbraw/zinc/32/29/84/1085322984.db2.gz VEMLGEFPUMKEJO-ZDUSSCGKSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000963808686 1086565965 /nfs/dbraw/zinc/56/59/65/1086565965.db2.gz OLAQTJGHPBXREC-UHFFFAOYSA-N 2 2 324.428 2.459 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957289226 1088151663 /nfs/dbraw/zinc/15/16/63/1088151663.db2.gz UQBAQDPYQBENEO-IBGZPJMESA-N 2 2 315.461 2.184 20 30 DEEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000957790509 1088616540 /nfs/dbraw/zinc/61/65/40/1088616540.db2.gz ZMOWOLROPAQJLC-GOSISDBHSA-N 2 2 315.461 2.400 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254208 1088741968 /nfs/dbraw/zinc/74/19/68/1088741968.db2.gz LXKFIJFFTRZGQQ-TZMCWYRMSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254208 1088741981 /nfs/dbraw/zinc/74/19/81/1088741981.db2.gz LXKFIJFFTRZGQQ-TZMCWYRMSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274623876 1091334742 /nfs/dbraw/zinc/33/47/42/1091334742.db2.gz NRTUZSIRNOBEKD-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274623876 1091334751 /nfs/dbraw/zinc/33/47/51/1091334751.db2.gz NRTUZSIRNOBEKD-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274623876 1091334761 /nfs/dbraw/zinc/33/47/61/1091334761.db2.gz NRTUZSIRNOBEKD-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274623876 1091334772 /nfs/dbraw/zinc/33/47/72/1091334772.db2.gz NRTUZSIRNOBEKD-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C#CCC[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273541343 1091913451 /nfs/dbraw/zinc/91/34/51/1091913451.db2.gz YNFKUKVWULVFNU-UHFFFAOYSA-N 2 2 301.434 2.424 20 30 DEEDLP C#CCC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273541343 1091913460 /nfs/dbraw/zinc/91/34/60/1091913460.db2.gz YNFKUKVWULVFNU-UHFFFAOYSA-N 2 2 301.434 2.424 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001275778801 1092106318 /nfs/dbraw/zinc/10/63/18/1092106318.db2.gz ADRVUTVTRFUGJN-HZPDHXFCSA-N 2 2 304.438 2.114 20 30 DEEDLP C=C(Cl)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274124477 1093810195 /nfs/dbraw/zinc/81/01/95/1093810195.db2.gz GZODNQDMNNZNJB-NSCUHMNNSA-N 2 2 304.781 2.191 20 30 DEEDLP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691725545 1138213822 /nfs/dbraw/zinc/21/38/22/1138213822.db2.gz UYDLCNHSWDWTMN-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691725545 1138213826 /nfs/dbraw/zinc/21/38/26/1138213826.db2.gz UYDLCNHSWDWTMN-ZBFHGGJFSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798537 1138332771 /nfs/dbraw/zinc/33/27/71/1138332771.db2.gz SCWTWGVWUZUQAO-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798537 1138332772 /nfs/dbraw/zinc/33/27/72/1138332772.db2.gz SCWTWGVWUZUQAO-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798989 1138332788 /nfs/dbraw/zinc/33/27/88/1138332788.db2.gz UHIBBUXVASEUQR-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798989 1138332792 /nfs/dbraw/zinc/33/27/92/1138332792.db2.gz UHIBBUXVASEUQR-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP Cn1cc(C[N@H+]2CCc3[nH+]ccn3CC2)c2cc(C#N)ccc21 ZINC001237473614 1138647379 /nfs/dbraw/zinc/64/73/79/1138647379.db2.gz QCIQCTVOQSIZBP-UHFFFAOYSA-N 2 2 305.385 2.305 20 30 DEEDLP Cn1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)c2cc(C#N)ccc21 ZINC001237473614 1138647387 /nfs/dbraw/zinc/64/73/87/1138647387.db2.gz QCIQCTVOQSIZBP-UHFFFAOYSA-N 2 2 305.385 2.305 20 30 DEEDLP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001318851556 1140436784 /nfs/dbraw/zinc/43/67/84/1140436784.db2.gz RYFSOFYLCDRQEK-MRXNPFEDSA-N 2 2 318.465 2.147 20 30 DEEDLP CCCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001278424556 1140844365 /nfs/dbraw/zinc/84/43/65/1140844365.db2.gz STSQTCIUDURHHF-CVEARBPZSA-N 2 2 306.454 2.433 20 30 DEEDLP N#Cc1cccnc1NCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001320325017 1140849976 /nfs/dbraw/zinc/84/99/76/1140849976.db2.gz LSMCHQGGEABNKG-UHFFFAOYSA-N 2 2 324.413 2.402 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323478882 1141857309 /nfs/dbraw/zinc/85/73/09/1141857309.db2.gz BESMKWIBTRNMOU-CABCVRRESA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[C@@H](O)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252594975 1142774046 /nfs/dbraw/zinc/77/40/46/1142774046.db2.gz CYRQCFPILJSLOD-OAHLLOKOSA-N 2 2 320.481 2.211 20 30 DEEDLP C=CCC[C@@H](O)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252594975 1142774051 /nfs/dbraw/zinc/77/40/51/1142774051.db2.gz CYRQCFPILJSLOD-OAHLLOKOSA-N 2 2 320.481 2.211 20 30 DEEDLP C#CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256556245 1143853660 /nfs/dbraw/zinc/85/36/60/1143853660.db2.gz XREDTVNVOKZOJE-QUCCMNQESA-N 2 2 311.473 2.290 20 30 DEEDLP C#CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256556245 1143853661 /nfs/dbraw/zinc/85/36/61/1143853661.db2.gz XREDTVNVOKZOJE-QUCCMNQESA-N 2 2 311.473 2.290 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001279043479 1143952638 /nfs/dbraw/zinc/95/26/38/1143952638.db2.gz BQSNTCHBFGZEBD-IRXDYDNUSA-N 2 2 318.465 2.456 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001263927628 1144425056 /nfs/dbraw/zinc/42/50/56/1144425056.db2.gz LTAYWRPGDBSGSO-LSDHHAIUSA-N 2 2 304.438 2.101 20 30 DEEDLP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001264744091 1144604707 /nfs/dbraw/zinc/60/47/07/1144604707.db2.gz IOUXRWNGTXHSQY-IRXDYDNUSA-N 2 2 316.449 2.170 20 30 DEEDLP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001264744091 1144604708 /nfs/dbraw/zinc/60/47/08/1144604708.db2.gz IOUXRWNGTXHSQY-IRXDYDNUSA-N 2 2 316.449 2.170 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265004817 1144623149 /nfs/dbraw/zinc/62/31/49/1144623149.db2.gz XROIPYDSWVIKFF-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265004817 1144623150 /nfs/dbraw/zinc/62/31/50/1144623150.db2.gz XROIPYDSWVIKFF-HOTGVXAUSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001265201109 1144665009 /nfs/dbraw/zinc/66/50/09/1144665009.db2.gz IHNJVINGLJGZJU-HNNXBMFYSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001279567852 1144824825 /nfs/dbraw/zinc/82/48/25/1144824825.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001279567852 1144824826 /nfs/dbraw/zinc/82/48/26/1144824826.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001279567852 1144824827 /nfs/dbraw/zinc/82/48/27/1144824827.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001279567852 1144824828 /nfs/dbraw/zinc/82/48/28/1144824828.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316610433 1144885552 /nfs/dbraw/zinc/88/55/52/1144885552.db2.gz JATFSVFNNUXGET-DLBZAZTESA-N 2 2 301.434 2.008 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316610433 1144885553 /nfs/dbraw/zinc/88/55/53/1144885553.db2.gz JATFSVFNNUXGET-DLBZAZTESA-N 2 2 301.434 2.008 20 30 DEEDLP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001282320916 1145036418 /nfs/dbraw/zinc/03/64/18/1145036418.db2.gz HPCHWNMUDKSLAZ-HUUCEWRRSA-N 2 2 318.465 2.174 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001282724374 1145146416 /nfs/dbraw/zinc/14/64/16/1145146416.db2.gz GLCVOHWHYDHVTF-HNNXBMFYSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001284334988 1145838211 /nfs/dbraw/zinc/83/82/11/1145838211.db2.gz JECILISJHZCUHV-OAHLLOKOSA-N 2 2 318.465 2.480 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491959114 1147020574 /nfs/dbraw/zinc/02/05/74/1147020574.db2.gz JFMDRULEARPMPM-CVEARBPZSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491959114 1147020578 /nfs/dbraw/zinc/02/05/78/1147020578.db2.gz JFMDRULEARPMPM-CVEARBPZSA-N 2 2 318.465 2.240 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317036947 1147651222 /nfs/dbraw/zinc/65/12/22/1147651222.db2.gz KDACMYHIAVPKNO-INIZCTEOSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317036947 1147651223 /nfs/dbraw/zinc/65/12/23/1147651223.db2.gz KDACMYHIAVPKNO-INIZCTEOSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317036947 1147651225 /nfs/dbraw/zinc/65/12/25/1147651225.db2.gz KDACMYHIAVPKNO-INIZCTEOSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317036947 1147651227 /nfs/dbraw/zinc/65/12/27/1147651227.db2.gz KDACMYHIAVPKNO-INIZCTEOSA-N 2 2 318.465 2.479 20 30 DEEDLP CC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181719774 199344033 /nfs/dbraw/zinc/34/40/33/199344033.db2.gz CGCFGUIJPKPZBC-SFHVURJKSA-N 2 2 301.434 2.273 20 30 DEEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595473610 358457695 /nfs/dbraw/zinc/45/76/95/358457695.db2.gz YENOOOANKSTVJK-IBGZPJMESA-N 2 2 313.445 2.287 20 30 DEEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595473610 358457701 /nfs/dbraw/zinc/45/77/01/358457701.db2.gz YENOOOANKSTVJK-IBGZPJMESA-N 2 2 313.445 2.287 20 30 DEEDLP C[C@@H]1CCC[C@](CNC(=O)N2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000329466923 539920757 /nfs/dbraw/zinc/92/07/57/539920757.db2.gz VUXSUSSUDRXVAW-PBHICJAKSA-N 2 2 319.453 2.123 20 30 DEEDLP CC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181795679 356096381 /nfs/dbraw/zinc/09/63/81/356096381.db2.gz WAWONCQTOFEMGB-QGZVFWFLSA-N 2 2 301.434 2.273 20 30 DEEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000592522589 357894127 /nfs/dbraw/zinc/89/41/27/357894127.db2.gz PDUXWWSPHVCICM-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000592522589 357894130 /nfs/dbraw/zinc/89/41/30/357894130.db2.gz PDUXWWSPHVCICM-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522589 357894132 /nfs/dbraw/zinc/89/41/32/357894132.db2.gz PDUXWWSPHVCICM-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522589 357894136 /nfs/dbraw/zinc/89/41/36/357894136.db2.gz PDUXWWSPHVCICM-LJQANCHMSA-N 2 2 315.461 2.495 20 30 DEEDLP N#Cc1csc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018117 193195034 /nfs/dbraw/zinc/19/50/34/193195034.db2.gz VCOGSKQBWZMSHU-CQSZACIVSA-N 2 2 305.447 2.164 20 30 DEEDLP N#Cc1csc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018117 193195036 /nfs/dbraw/zinc/19/50/36/193195036.db2.gz VCOGSKQBWZMSHU-CQSZACIVSA-N 2 2 305.447 2.164 20 30 DEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267567669 206149279 /nfs/dbraw/zinc/14/92/79/206149279.db2.gz CIDHZRILYQIQLU-MRXNPFEDSA-N 2 2 324.384 2.375 20 30 DEEDLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330946601 284698623 /nfs/dbraw/zinc/69/86/23/284698623.db2.gz HNLJZNBTDCELRK-HRCADAONSA-N 2 2 321.469 2.410 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000134996605 401923269 /nfs/dbraw/zinc/92/32/69/401923269.db2.gz PCYLEZTUFIHHJH-SFHVURJKSA-N 2 2 307.482 2.264 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000103337797 402185187 /nfs/dbraw/zinc/18/51/87/402185187.db2.gz YHOXIFAGLSYUHN-MRXNPFEDSA-N 2 2 318.396 2.387 20 30 DEEDLP Cc1cc(C#N)ccc1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000186331467 402421359 /nfs/dbraw/zinc/42/13/59/402421359.db2.gz KKCGGUXNLAXXSS-UHFFFAOYSA-N 2 2 307.401 2.287 20 30 DEEDLP C=CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000346303733 403584041 /nfs/dbraw/zinc/58/40/41/403584041.db2.gz BSAVGDHRESZVBV-HNNXBMFYSA-N 2 2 323.404 2.108 20 30 DEEDLP C=CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000346303733 403584047 /nfs/dbraw/zinc/58/40/47/403584047.db2.gz BSAVGDHRESZVBV-HNNXBMFYSA-N 2 2 323.404 2.108 20 30 DEEDLP CC[N@@H+]1CCc2nc(NC(=O)CCc3[nH]cc[nH+]3)sc2C1 ZINC000329227656 404271832 /nfs/dbraw/zinc/27/18/32/404271832.db2.gz BHRODOQNVATHDR-UHFFFAOYSA-N 2 2 305.407 2.465 20 30 DEEDLP CC[N@H+]1CCc2nc(NC(=O)CCc3[nH]cc[nH+]3)sc2C1 ZINC000329227656 404271837 /nfs/dbraw/zinc/27/18/37/404271837.db2.gz BHRODOQNVATHDR-UHFFFAOYSA-N 2 2 305.407 2.465 20 30 DEEDLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202030 404497064 /nfs/dbraw/zinc/49/70/64/404497064.db2.gz GBCCRCMZQNCKBW-ROUUACIJSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202030 404497071 /nfs/dbraw/zinc/49/70/71/404497071.db2.gz GBCCRCMZQNCKBW-ROUUACIJSA-N 2 2 301.434 2.446 20 30 DEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330320382 404625829 /nfs/dbraw/zinc/62/58/29/404625829.db2.gz FALFYMNZQQNSRT-IIAWOOMASA-N 2 2 320.437 2.471 20 30 DEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330320382 404625833 /nfs/dbraw/zinc/62/58/33/404625833.db2.gz FALFYMNZQQNSRT-IIAWOOMASA-N 2 2 320.437 2.471 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000374425867 404706841 /nfs/dbraw/zinc/70/68/41/404706841.db2.gz AEXARQPRWOGMLV-CEXWTWQISA-N 2 2 316.420 2.361 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000374425867 404706845 /nfs/dbraw/zinc/70/68/45/404706845.db2.gz AEXARQPRWOGMLV-CEXWTWQISA-N 2 2 316.420 2.361 20 30 DEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC1 ZINC000361681246 405196389 /nfs/dbraw/zinc/19/63/89/405196389.db2.gz ISPABPBIYBBACG-ZDUSSCGKSA-N 2 2 319.840 2.187 20 30 DEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC1 ZINC000361681246 405196391 /nfs/dbraw/zinc/19/63/91/405196391.db2.gz ISPABPBIYBBACG-ZDUSSCGKSA-N 2 2 319.840 2.187 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2[nH+]ccn2CC)CC1 ZINC000454458959 405348055 /nfs/dbraw/zinc/34/80/55/405348055.db2.gz GJJVLHYFNVSYGR-CQSZACIVSA-N 2 2 319.453 2.304 20 30 DEEDLP C=CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC)c1O ZINC000427135403 405390610 /nfs/dbraw/zinc/39/06/10/405390610.db2.gz CPVWLYVJZMMQQN-HZPDHXFCSA-N 2 2 302.418 2.313 20 30 DEEDLP C=CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC)c1O ZINC000427135403 405390613 /nfs/dbraw/zinc/39/06/13/405390613.db2.gz CPVWLYVJZMMQQN-HZPDHXFCSA-N 2 2 302.418 2.313 20 30 DEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449546703 405608854 /nfs/dbraw/zinc/60/88/54/405608854.db2.gz DJGWDMPBAIYVDL-MSOLQXFVSA-N 2 2 301.434 2.369 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423495161 405826809 /nfs/dbraw/zinc/82/68/09/405826809.db2.gz DYJMKSVVNZMSPO-PKOBYXMFSA-N 3 2 312.461 2.240 20 30 DEEDLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000535207360 406215508 /nfs/dbraw/zinc/21/55/08/406215508.db2.gz RMIUZPYJYUSGSU-CQSZACIVSA-N 2 2 324.384 2.448 20 30 DEEDLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000535207360 406215513 /nfs/dbraw/zinc/21/55/13/406215513.db2.gz RMIUZPYJYUSGSU-CQSZACIVSA-N 2 2 324.384 2.448 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000491635860 406643407 /nfs/dbraw/zinc/64/34/07/406643407.db2.gz URCTUXCYTKKVTC-SFHVURJKSA-N 2 2 314.408 2.193 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000491635860 406643413 /nfs/dbraw/zinc/64/34/13/406643413.db2.gz URCTUXCYTKKVTC-SFHVURJKSA-N 2 2 314.408 2.193 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000554075124 406782183 /nfs/dbraw/zinc/78/21/83/406782183.db2.gz QWBFPZQEZUJLMU-QAPCUYQASA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000554075124 406782186 /nfs/dbraw/zinc/78/21/86/406782186.db2.gz QWBFPZQEZUJLMU-QAPCUYQASA-N 2 2 316.449 2.180 20 30 DEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789150 406892615 /nfs/dbraw/zinc/89/26/15/406892615.db2.gz ZILSTFWATNDMOA-ZWKOTPCHSA-N 2 2 309.498 2.117 20 30 DEEDLP C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370699752 227056902 /nfs/dbraw/zinc/05/69/02/227056902.db2.gz MGEGHMDWSSMAAX-DLBZAZTESA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370699752 227056907 /nfs/dbraw/zinc/05/69/07/227056907.db2.gz MGEGHMDWSSMAAX-DLBZAZTESA-N 2 2 306.498 2.274 20 30 DEEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657314204 425303102 /nfs/dbraw/zinc/30/31/02/425303102.db2.gz YETTURHUPXCHCE-IYBDPMFKSA-N 2 2 305.470 2.312 20 30 DEEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657314204 425303106 /nfs/dbraw/zinc/30/31/06/425303106.db2.gz YETTURHUPXCHCE-IYBDPMFKSA-N 2 2 305.470 2.312 20 30 DEEDLP C=C(C)COCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000569596067 332190763 /nfs/dbraw/zinc/19/07/63/332190763.db2.gz SHLMGNHSKNRJIZ-MRXNPFEDSA-N 2 2 317.433 2.196 20 30 DEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422912922 526951137 /nfs/dbraw/zinc/95/11/37/526951137.db2.gz XKDYRZKAODZYJR-ROUUACIJSA-N 2 2 302.418 2.108 20 30 DEEDLP CC[C@@H]1CCC[C@H](NC(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)C1 ZINC000262815163 529313000 /nfs/dbraw/zinc/31/30/00/529313000.db2.gz VLEQMIQMWFHVFR-KGLIPLIRSA-N 2 2 320.485 2.120 20 30 DEEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903650 608578662 /nfs/dbraw/zinc/57/86/62/608578662.db2.gz GJECDCAWDPIZLZ-UHFFFAOYSA-N 2 2 323.404 2.142 20 30 DEEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903650 608578664 /nfs/dbraw/zinc/57/86/64/608578664.db2.gz GJECDCAWDPIZLZ-UHFFFAOYSA-N 2 2 323.404 2.142 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459801 625453245 /nfs/dbraw/zinc/45/32/45/625453245.db2.gz SQOQZIRHGKJIKA-HUUCEWRRSA-N 2 2 324.428 2.417 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459801 625453247 /nfs/dbraw/zinc/45/32/47/625453247.db2.gz SQOQZIRHGKJIKA-HUUCEWRRSA-N 2 2 324.428 2.417 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999696487 634657268 /nfs/dbraw/zinc/65/72/68/634657268.db2.gz CTJPVGFWCQVHQV-UHFFFAOYSA-N 2 2 310.829 2.019 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999678646 634657174 /nfs/dbraw/zinc/65/71/74/634657174.db2.gz ASNUQSZCJJBLLG-ZDUSSCGKSA-N 2 2 318.808 2.281 20 30 DEEDLP C#CC[NH+]1CCC(C2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC001000193021 634785219 /nfs/dbraw/zinc/78/52/19/634785219.db2.gz YLAZCVGXGADVTA-UHFFFAOYSA-N 2 2 322.412 2.171 20 30 DEEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC000995820609 633127802 /nfs/dbraw/zinc/12/78/02/633127802.db2.gz GZEAERBSYJTPOH-OAHLLOKOSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974882545 633351887 /nfs/dbraw/zinc/35/18/87/633351887.db2.gz JYFSZULMIZOAPZ-QGZVFWFLSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974882545 633351889 /nfs/dbraw/zinc/35/18/89/633351889.db2.gz JYFSZULMIZOAPZ-QGZVFWFLSA-N 2 2 324.428 2.499 20 30 DEEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027636725 634359765 /nfs/dbraw/zinc/35/97/65/634359765.db2.gz GGNBBODAKXXNFY-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027636725 634359766 /nfs/dbraw/zinc/35/97/66/634359766.db2.gz GGNBBODAKXXNFY-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980272055 634919316 /nfs/dbraw/zinc/91/93/16/634919316.db2.gz FNOYWQCJPJYLBV-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980272055 634919317 /nfs/dbraw/zinc/91/93/17/634919317.db2.gz FNOYWQCJPJYLBV-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913949 634956150 /nfs/dbraw/zinc/95/61/50/634956150.db2.gz QBLPMCBPLPLOPY-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913949 634956152 /nfs/dbraw/zinc/95/61/52/634956152.db2.gz QBLPMCBPLPLOPY-OAHLLOKOSA-N 2 2 319.474 2.027 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027920361 634967232 /nfs/dbraw/zinc/96/72/32/634967232.db2.gz HYGWZTIPVJUREH-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027920361 634967234 /nfs/dbraw/zinc/96/72/34/634967234.db2.gz HYGWZTIPVJUREH-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027920361 634967240 /nfs/dbraw/zinc/96/72/40/634967240.db2.gz HYGWZTIPVJUREH-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981846530 635686278 /nfs/dbraw/zinc/68/62/78/635686278.db2.gz HOPNFXQQYNNWJK-UHFFFAOYSA-N 2 2 322.412 2.124 20 30 DEEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981846530 635686284 /nfs/dbraw/zinc/68/62/84/635686284.db2.gz HOPNFXQQYNNWJK-UHFFFAOYSA-N 2 2 322.412 2.124 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982268734 635932900 /nfs/dbraw/zinc/93/29/00/635932900.db2.gz AEVDZAIERDREAE-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982268734 635932902 /nfs/dbraw/zinc/93/29/02/635932902.db2.gz AEVDZAIERDREAE-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269136 635933496 /nfs/dbraw/zinc/93/34/96/635933496.db2.gz LWQCFSVXVWTBCP-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269136 635933499 /nfs/dbraw/zinc/93/34/99/635933499.db2.gz LWQCFSVXVWTBCP-HDICACEKSA-N 2 2 316.449 2.089 20 30 DEEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000727645521 638168624 /nfs/dbraw/zinc/16/86/24/638168624.db2.gz OXGNCDBQKQFGLF-HNNXBMFYSA-N 2 2 323.404 2.002 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CC(O)C4)CC2)cc1 ZINC000897848934 640952103 /nfs/dbraw/zinc/95/21/03/640952103.db2.gz QUXNPOAOZYAHJP-JLAWEPINSA-N 2 2 311.429 2.026 20 30 DEEDLP C#CC[N@H+](C)CCCNc1nc(C)[nH+]c(C)c1Br ZINC000322844946 641238847 /nfs/dbraw/zinc/23/88/47/641238847.db2.gz SDPILTDAYSOHTQ-UHFFFAOYSA-N 2 2 311.227 2.223 20 30 DEEDLP C#CC[N@@H+](C)CCCNc1nc(C)[nH+]c(C)c1Br ZINC000322844946 641238852 /nfs/dbraw/zinc/23/88/52/641238852.db2.gz SDPILTDAYSOHTQ-UHFFFAOYSA-N 2 2 311.227 2.223 20 30 DEEDLP CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000769773884 641287958 /nfs/dbraw/zinc/28/79/58/641287958.db2.gz LKNKECWXFNCKKN-LZAHHGRNSA-N 2 2 319.449 2.376 20 30 DEEDLP CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000769773884 641287967 /nfs/dbraw/zinc/28/79/67/641287967.db2.gz LKNKECWXFNCKKN-LZAHHGRNSA-N 2 2 319.449 2.376 20 30 DEEDLP C=CC[C@@H](CO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000775422506 642042481 /nfs/dbraw/zinc/04/24/81/642042481.db2.gz MLFAZCYPXMKEHX-MRXNPFEDSA-N 2 2 317.477 2.496 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)c(F)c1 ZINC000776738555 642202518 /nfs/dbraw/zinc/20/25/18/642202518.db2.gz DMDJLOKUEFHTIO-MAZHCROVSA-N 2 2 303.381 2.211 20 30 DEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)c(F)c1 ZINC000776738555 642202521 /nfs/dbraw/zinc/20/25/21/642202521.db2.gz DMDJLOKUEFHTIO-MAZHCROVSA-N 2 2 303.381 2.211 20 30 DEEDLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903988021 643541537 /nfs/dbraw/zinc/54/15/37/643541537.db2.gz MPVMQRHXCITVBK-JKSUJKDBSA-N 2 2 301.438 2.203 20 30 DEEDLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903988021 643541544 /nfs/dbraw/zinc/54/15/44/643541544.db2.gz MPVMQRHXCITVBK-JKSUJKDBSA-N 2 2 301.438 2.203 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947313723 646505597 /nfs/dbraw/zinc/50/55/97/646505597.db2.gz CERCPWKIXIZHFF-WMLDXEAASA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C 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20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943878836 649447519 /nfs/dbraw/zinc/44/75/19/649447519.db2.gz SQGGMPNEIHUSAK-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCCCCC2)C[C@H](C)O1 ZINC000305063852 685269526 /nfs/dbraw/zinc/26/95/26/685269526.db2.gz MECWKAWFRKDZRC-GASCZTMLSA-N 2 2 310.486 2.065 20 30 DEEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCCCCC2)C[C@H](C)O1 ZINC000305063852 685269529 /nfs/dbraw/zinc/26/95/29/685269529.db2.gz MECWKAWFRKDZRC-GASCZTMLSA-N 2 2 310.486 2.065 20 30 DEEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC000104159998 684058277 /nfs/dbraw/zinc/05/82/77/684058277.db2.gz TUPAMZRKLVXCKG-KRWDZBQOSA-N 2 2 318.465 2.387 20 30 DEEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153837 693865396 /nfs/dbraw/zinc/86/53/96/693865396.db2.gz LCRBZOASBVKRRG-LJQANCHMSA-N 2 2 322.412 2.124 20 30 DEEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153837 693865397 /nfs/dbraw/zinc/86/53/97/693865397.db2.gz LCRBZOASBVKRRG-LJQANCHMSA-N 2 2 322.412 2.124 20 30 DEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000303720080 685233540 /nfs/dbraw/zinc/23/35/40/685233540.db2.gz WITFNWIRWQGJBL-GOSISDBHSA-N 2 2 310.445 2.436 20 30 DEEDLP C=C(C)C[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098404 689062565 /nfs/dbraw/zinc/06/25/65/689062565.db2.gz QEHNUGACXRBMHM-UHFFFAOYSA-N 2 2 310.401 2.110 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033114417 689392881 /nfs/dbraw/zinc/39/28/81/689392881.db2.gz DCTPMJJFXJXSCI-CQSZACIVSA-N 2 2 307.463 2.142 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033114417 689392879 /nfs/dbraw/zinc/39/28/79/689392879.db2.gz DCTPMJJFXJXSCI-CQSZACIVSA-N 2 2 307.463 2.142 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033190008 689418289 /nfs/dbraw/zinc/41/82/89/689418289.db2.gz FNEWQCSMOYMDJN-HNNXBMFYSA-N 2 2 304.438 2.035 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033190008 689418292 /nfs/dbraw/zinc/41/82/92/689418292.db2.gz FNEWQCSMOYMDJN-HNNXBMFYSA-N 2 2 304.438 2.035 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950768 689672216 /nfs/dbraw/zinc/67/22/16/689672216.db2.gz WZVIQNIGKYQELK-LSDHHAIUSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950768 689672218 /nfs/dbraw/zinc/67/22/18/689672218.db2.gz WZVIQNIGKYQELK-LSDHHAIUSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000876716736 689913751 /nfs/dbraw/zinc/91/37/51/689913751.db2.gz LZWHTCWUMVYPIH-AWEZNQCLSA-N 2 2 322.840 2.158 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001034676213 689925053 /nfs/dbraw/zinc/92/50/53/689925053.db2.gz XWPBUQAQALWLQC-JYJNAYRXSA-N 2 2 316.449 2.039 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001036104069 690261521 /nfs/dbraw/zinc/26/15/21/690261521.db2.gz GASHFYLGGRQDQB-GJZGRUSLSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036772087 690468071 /nfs/dbraw/zinc/46/80/71/690468071.db2.gz RNUPZBPMPPNGGQ-CABCVRRESA-N 2 2 310.401 2.057 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036772087 690468073 /nfs/dbraw/zinc/46/80/73/690468073.db2.gz RNUPZBPMPPNGGQ-CABCVRRESA-N 2 2 310.401 2.057 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036785401 690473872 /nfs/dbraw/zinc/47/38/72/690473872.db2.gz FDOADIHVSJGXTR-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036785401 690473874 /nfs/dbraw/zinc/47/38/74/690473874.db2.gz FDOADIHVSJGXTR-IRXDYDNUSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CC ZINC001037848793 690622614 /nfs/dbraw/zinc/62/26/14/690622614.db2.gz DFDSJRMJPMJOAT-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037848793 690622617 /nfs/dbraw/zinc/62/26/17/690622617.db2.gz DFDSJRMJPMJOAT-HOCLYGCPSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038313470 690778178 /nfs/dbraw/zinc/77/81/78/690778178.db2.gz DKCFEDRVVZVXSX-AWEZNQCLSA-N 2 2 307.463 2.190 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038313470 690778182 /nfs/dbraw/zinc/77/81/82/690778182.db2.gz DKCFEDRVVZVXSX-AWEZNQCLSA-N 2 2 307.463 2.190 20 30 DEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137827 690815542 /nfs/dbraw/zinc/81/55/42/690815542.db2.gz LDSWCFQUWRHLTP-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137827 690815546 /nfs/dbraw/zinc/81/55/46/690815546.db2.gz LDSWCFQUWRHLTP-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137827 690815549 /nfs/dbraw/zinc/81/55/49/690815549.db2.gz LDSWCFQUWRHLTP-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000880137827 690815551 /nfs/dbraw/zinc/81/55/51/690815551.db2.gz LDSWCFQUWRHLTP-DLBZAZTESA-N 2 2 312.417 2.055 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040244237 691220445 /nfs/dbraw/zinc/22/04/45/691220445.db2.gz HMCKPVYVQKYKNB-IIDMSEBBSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040244237 691220448 /nfs/dbraw/zinc/22/04/48/691220448.db2.gz HMCKPVYVQKYKNB-IIDMSEBBSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040244237 691220451 /nfs/dbraw/zinc/22/04/51/691220451.db2.gz HMCKPVYVQKYKNB-IIDMSEBBSA-N 2 2 314.433 2.014 20 30 DEEDLP 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MZDCVWYDKTWBOD-CQSZACIVSA-N 2 2 318.465 2.491 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167976358 779138543 /nfs/dbraw/zinc/13/85/43/779138543.db2.gz BGLZIYQAZRMDNJ-HNNXBMFYSA-N 2 2 306.454 2.431 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167976358 779138547 /nfs/dbraw/zinc/13/85/47/779138547.db2.gz BGLZIYQAZRMDNJ-HNNXBMFYSA-N 2 2 306.454 2.431 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988594 779617729 /nfs/dbraw/zinc/61/77/29/779617729.db2.gz PFMHXQOLHLAZHU-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988594 779617734 /nfs/dbraw/zinc/61/77/34/779617734.db2.gz PFMHXQOLHLAZHU-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988594 779617737 /nfs/dbraw/zinc/61/77/37/779617737.db2.gz PFMHXQOLHLAZHU-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988594 779617741 /nfs/dbraw/zinc/61/77/41/779617741.db2.gz PFMHXQOLHLAZHU-CVEARBPZSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380471 780045643 /nfs/dbraw/zinc/04/56/43/780045643.db2.gz IPECLJZPEASGSC-CABCVRRESA-N 2 2 316.449 2.376 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC ZINC001089652225 783325398 /nfs/dbraw/zinc/32/53/98/783325398.db2.gz AHPNSJTYIGZCAN-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001089652225 783325406 /nfs/dbraw/zinc/32/54/06/783325406.db2.gz AHPNSJTYIGZCAN-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC ZINC001089652225 783325418 /nfs/dbraw/zinc/32/54/18/783325418.db2.gz AHPNSJTYIGZCAN-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC ZINC001089652225 783325428 /nfs/dbraw/zinc/32/54/28/783325428.db2.gz AHPNSJTYIGZCAN-SJORKVTESA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657569 783329984 /nfs/dbraw/zinc/32/99/84/783329984.db2.gz FCUKSZNCGVWQMY-HNNXBMFYSA-N 2 2 324.428 2.417 20 30 DEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089657569 783329992 /nfs/dbraw/zinc/32/99/92/783329992.db2.gz FCUKSZNCGVWQMY-HNNXBMFYSA-N 2 2 324.428 2.417 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086121471 784422729 /nfs/dbraw/zinc/42/27/29/784422729.db2.gz VKQALMNABIJHOT-BJHJDKERSA-N 2 2 318.808 2.413 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086243882 784517237 /nfs/dbraw/zinc/51/72/37/784517237.db2.gz IBWAHVXICXJKGP-FZNQNYSPSA-N 2 2 310.401 2.156 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780572 784586850 /nfs/dbraw/zinc/58/68/50/784586850.db2.gz GOMDYVWOAMAZRZ-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780572 784586857 /nfs/dbraw/zinc/58/68/57/784586857.db2.gz GOMDYVWOAMAZRZ-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780572 784586865 /nfs/dbraw/zinc/58/68/65/784586865.db2.gz GOMDYVWOAMAZRZ-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780572 784586872 /nfs/dbraw/zinc/58/68/72/784586872.db2.gz GOMDYVWOAMAZRZ-CABCVRRESA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008491311 785222325 /nfs/dbraw/zinc/22/23/25/785222325.db2.gz ZYMFCLHFUGHAKD-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008491311 785222330 /nfs/dbraw/zinc/22/23/30/785222330.db2.gz ZYMFCLHFUGHAKD-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834400 785560559 /nfs/dbraw/zinc/56/05/59/785560559.db2.gz NAPFAAUOEFMCRG-ULQDDVLXSA-N 2 2 316.449 2.209 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112976926 786344623 /nfs/dbraw/zinc/34/46/23/786344623.db2.gz CEWHHPKRFQLABL-KRWDZBQOSA-N 2 2 319.493 2.055 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112976926 786344626 /nfs/dbraw/zinc/34/46/26/786344626.db2.gz CEWHHPKRFQLABL-KRWDZBQOSA-N 2 2 319.493 2.055 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726264 786725986 /nfs/dbraw/zinc/72/59/86/786725986.db2.gz FGWBNCHEIFVJGM-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014726264 786725994 /nfs/dbraw/zinc/72/59/94/786725994.db2.gz FGWBNCHEIFVJGM-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014726264 786726002 /nfs/dbraw/zinc/72/60/02/786726002.db2.gz FGWBNCHEIFVJGM-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014726264 786726009 /nfs/dbraw/zinc/72/60/09/786726009.db2.gz FGWBNCHEIFVJGM-GJZGRUSLSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095995089 787440471 /nfs/dbraw/zinc/44/04/71/787440471.db2.gz XYJIQSXZBCQDQG-VDERGJSUSA-N 2 2 314.433 2.127 20 30 DEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095995089 787440473 /nfs/dbraw/zinc/44/04/73/787440473.db2.gz XYJIQSXZBCQDQG-VDERGJSUSA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221707 787979911 /nfs/dbraw/zinc/97/99/11/787979911.db2.gz MXWZJLCXLOTPEA-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221707 787979913 /nfs/dbraw/zinc/97/99/13/787979913.db2.gz MXWZJLCXLOTPEA-HZPDHXFCSA-N 2 2 304.438 2.209 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919682 788227895 /nfs/dbraw/zinc/22/78/95/788227895.db2.gz MQCJIQHZIBJBAL-GDBMZVCRSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132998000 788251798 /nfs/dbraw/zinc/25/17/98/788251798.db2.gz LQVKXJANTVZLFH-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133240989 788327858 /nfs/dbraw/zinc/32/78/58/788327858.db2.gz CWKQZIWKSBJHTJ-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369870 788899825 /nfs/dbraw/zinc/89/98/25/788899825.db2.gz UAFANSOBLAHLAT-KBPBESRZSA-N 2 2 312.417 2.153 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170895664 789642187 /nfs/dbraw/zinc/64/21/87/789642187.db2.gz SHGZKBRVFSORJU-HNNXBMFYSA-N 2 2 318.465 2.213 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672381 791791741 /nfs/dbraw/zinc/79/17/41/791791741.db2.gz GEFQEJLWYGXBEL-AWEZNQCLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672381 791791744 /nfs/dbraw/zinc/79/17/44/791791744.db2.gz GEFQEJLWYGXBEL-AWEZNQCLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099137894 792112526 /nfs/dbraw/zinc/11/25/26/792112526.db2.gz ICOFHTUYLUEZTC-YJBOKZPZSA-N 2 2 316.449 2.198 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099137894 792112530 /nfs/dbraw/zinc/11/25/30/792112530.db2.gz ICOFHTUYLUEZTC-YJBOKZPZSA-N 2 2 316.449 2.198 20 30 DEEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441518 792655253 /nfs/dbraw/zinc/65/52/53/792655253.db2.gz SYVCGPZXTSUNKL-UHFFFAOYSA-N 2 2 318.465 2.377 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597294 793144929 /nfs/dbraw/zinc/14/49/29/793144929.db2.gz YAGSPLBNXABBES-CVEARBPZSA-N 2 2 318.465 2.286 20 30 DEEDLP C[C@H](CCCC#N)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495063 793437723 /nfs/dbraw/zinc/43/77/23/793437723.db2.gz MGRRYMJXXLTZEF-NXHRZFHOSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@H](CCCC#N)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495063 793437725 /nfs/dbraw/zinc/43/77/25/793437725.db2.gz MGRRYMJXXLTZEF-NXHRZFHOSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495063 793437730 /nfs/dbraw/zinc/43/77/30/793437730.db2.gz MGRRYMJXXLTZEF-NXHRZFHOSA-N 2 2 315.465 2.256 20 30 DEEDLP C[C@H](CCCC#N)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172495063 793437734 /nfs/dbraw/zinc/43/77/34/793437734.db2.gz MGRRYMJXXLTZEF-NXHRZFHOSA-N 2 2 315.465 2.256 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176774777 794491288 /nfs/dbraw/zinc/49/12/88/794491288.db2.gz IBWDCABOEYTBJM-RDJZCZTQSA-N 2 2 318.465 2.135 20 30 DEEDLP C#CC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001115538399 794813982 /nfs/dbraw/zinc/81/39/82/794813982.db2.gz GTEMIWBVQPEVBG-UHFFFAOYSA-N 2 2 324.428 2.298 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178864275 795014892 /nfs/dbraw/zinc/01/48/92/795014892.db2.gz HJPWFZBTYOIDMP-MRXNPFEDSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097726 795062691 /nfs/dbraw/zinc/06/26/91/795062691.db2.gz RFCRZIOHWKUNFE-UHFFFAOYSA-N 2 2 306.454 2.195 20 30 DEEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179558281 795137910 /nfs/dbraw/zinc/13/79/10/795137910.db2.gz RSOLUQOIHMRIGW-OAHLLOKOSA-N 2 2 316.449 2.119 20 30 DEEDLP C#CCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705837 795162270 /nfs/dbraw/zinc/16/22/70/795162270.db2.gz OWFWNYJPPFHAJR-INIZCTEOSA-N 2 2 304.438 2.124 20 30 DEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777488 795169242 /nfs/dbraw/zinc/16/92/42/795169242.db2.gz XMTXHMAYYXBZJX-HNNXBMFYSA-N 2 2 306.454 2.431 20 30 DEEDLP 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RCPPEBMYHXSNKQ-DYVFJYSZSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266897302 1082438442 /nfs/dbraw/zinc/43/84/42/1082438442.db2.gz MNZDMYBXSJIXDL-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266897302 1082438443 /nfs/dbraw/zinc/43/84/43/1082438443.db2.gz MNZDMYBXSJIXDL-LSDHHAIUSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001277315510 1083906913 /nfs/dbraw/zinc/90/69/13/1083906913.db2.gz AEOJAOVNWCFKLB-MQVJKMGUSA-N 2 2 316.449 2.420 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001491191803 1084138030 /nfs/dbraw/zinc/13/80/30/1084138030.db2.gz YYMQIBLELQEIRJ-INIZCTEOSA-N 2 2 318.465 2.147 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001491300393 1084221456 /nfs/dbraw/zinc/22/14/56/1084221456.db2.gz NGDHMWZQYMREPT-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001491300393 1084221462 /nfs/dbraw/zinc/22/14/62/1084221462.db2.gz NGDHMWZQYMREPT-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961360344 1085704644 /nfs/dbraw/zinc/70/46/44/1085704644.db2.gz DXOGXILVXONXDK-PIIMJCKOSA-N 2 2 322.412 2.108 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961360344 1085704652 /nfs/dbraw/zinc/70/46/52/1085704652.db2.gz DXOGXILVXONXDK-PIIMJCKOSA-N 2 2 322.412 2.108 20 30 DEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789685 1088403152 /nfs/dbraw/zinc/40/31/52/1088403152.db2.gz RLGUMCQICGDAEN-TZMCWYRMSA-N 2 2 307.463 2.046 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789685 1088403168 /nfs/dbraw/zinc/40/31/68/1088403168.db2.gz RLGUMCQICGDAEN-TZMCWYRMSA-N 2 2 307.463 2.046 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001114556349 1088403022 /nfs/dbraw/zinc/40/30/22/1088403022.db2.gz TVGVBSDYDDWVSB-OIPACUDHSA-N 2 2 324.428 2.349 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001114556349 1088403027 /nfs/dbraw/zinc/40/30/27/1088403027.db2.gz TVGVBSDYDDWVSB-OIPACUDHSA-N 2 2 324.428 2.349 20 30 DEEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081219094 1089366806 /nfs/dbraw/zinc/36/68/06/1089366806.db2.gz KEXNNQDKOISKCC-FUHWJXTLSA-N 2 2 324.428 2.031 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963437 1090547256 /nfs/dbraw/zinc/54/72/56/1090547256.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963437 1090547260 /nfs/dbraw/zinc/54/72/60/1090547260.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084963437 1090547264 /nfs/dbraw/zinc/54/72/64/1090547264.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084963437 1090547269 /nfs/dbraw/zinc/54/72/69/1090547269.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 2 314.433 2.012 20 30 DEEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001275290434 1091653849 /nfs/dbraw/zinc/65/38/49/1091653849.db2.gz LLHCKBLSAKWQIJ-YQQQUEKLSA-N 2 2 312.461 2.205 20 30 DEEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001275290434 1091653853 /nfs/dbraw/zinc/65/38/53/1091653853.db2.gz LLHCKBLSAKWQIJ-YQQQUEKLSA-N 2 2 312.461 2.205 20 30 DEEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948756122 1091916532 /nfs/dbraw/zinc/91/65/32/1091916532.db2.gz XJZRLMRHVLDWGK-QGZVFWFLSA-N 2 2 305.466 2.114 20 30 DEEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948756122 1091916538 /nfs/dbraw/zinc/91/65/38/1091916538.db2.gz XJZRLMRHVLDWGK-QGZVFWFLSA-N 2 2 305.466 2.114 20 30 DEEDLP C=CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001273796105 1092053714 /nfs/dbraw/zinc/05/37/14/1092053714.db2.gz XAELWTGSBSOCLJ-UHFFFAOYSA-N 2 2 304.438 2.234 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001275778802 1092106409 /nfs/dbraw/zinc/10/64/09/1092106409.db2.gz ADRVUTVTRFUGJN-JKSUJKDBSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001292957689 1138878193 /nfs/dbraw/zinc/87/81/93/1138878193.db2.gz NZAAIFJAGZICEK-MRXNPFEDSA-N 2 2 304.438 2.075 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316666123 1140160440 /nfs/dbraw/zinc/16/04/40/1140160440.db2.gz JPRZRSSCCHHDNW-CWRNSKLLSA-N 2 2 318.465 2.490 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001318756087 1140401773 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30 DEEDLP CC(C)C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC001336733303 1142551848 /nfs/dbraw/zinc/55/18/48/1142551848.db2.gz MILNNVHOYKWZBB-QGZVFWFLSA-N 2 2 316.449 2.453 20 30 DEEDLP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252619942 1142792022 /nfs/dbraw/zinc/79/20/22/1142792022.db2.gz PMMXJCHFYXDUET-LJQANCHMSA-N 2 2 313.445 2.439 20 30 DEEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256077710 1143828261 /nfs/dbraw/zinc/82/82/61/1143828261.db2.gz HRHGFBFRFLNCGI-RBUKOAKNSA-N 2 2 320.477 2.439 20 30 DEEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256077710 1143828262 /nfs/dbraw/zinc/82/82/62/1143828262.db2.gz HRHGFBFRFLNCGI-RBUKOAKNSA-N 2 2 320.477 2.439 20 30 DEEDLP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001279001292 1143893788 /nfs/dbraw/zinc/89/37/88/1143893788.db2.gz WDPLSESSMQLNAD-GDBMZVCRSA-N 2 2 312.417 2.269 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001279043477 1143952754 /nfs/dbraw/zinc/95/27/54/1143952754.db2.gz BQSNTCHBFGZEBD-DLBZAZTESA-N 2 2 318.465 2.456 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264121805 1144475004 /nfs/dbraw/zinc/47/50/04/1144475004.db2.gz AADJOMFCMJESRV-DLBZAZTESA-N 2 2 316.449 2.218 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264435413 1144539720 /nfs/dbraw/zinc/53/97/20/1144539720.db2.gz ISEDLRLDPXACGA-RBSFLKMASA-N 2 2 304.438 2.039 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264435413 1144539734 /nfs/dbraw/zinc/53/97/34/1144539734.db2.gz ISEDLRLDPXACGA-RBSFLKMASA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088998 1144640837 /nfs/dbraw/zinc/64/08/37/1144640837.db2.gz IMEBMHPPIIXQDX-HOCLYGCPSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001265093230 1144642015 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C=CCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001282726474 1145148958 /nfs/dbraw/zinc/14/89/58/1145148958.db2.gz SWPIRIQCWLHTBT-OAHLLOKOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001366741759 1147531124 /nfs/dbraw/zinc/53/11/24/1147531124.db2.gz SLPYNIOKUFBHDI-HNNXBMFYSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001366741759 1147531128 /nfs/dbraw/zinc/53/11/28/1147531128.db2.gz SLPYNIOKUFBHDI-HNNXBMFYSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001366741759 1147531130 /nfs/dbraw/zinc/53/11/30/1147531130.db2.gz SLPYNIOKUFBHDI-HNNXBMFYSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001366741759 1147531132 /nfs/dbraw/zinc/53/11/32/1147531132.db2.gz SLPYNIOKUFBHDI-HNNXBMFYSA-N 2 2 313.873 2.192 20 30 DEEDLP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317046172 1147652630 /nfs/dbraw/zinc/65/26/30/1147652630.db2.gz XWTGCOZWZZORMT-SJORKVTESA-N 2 2 316.449 2.028 20 30 DEEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317046172 1147652632 /nfs/dbraw/zinc/65/26/32/1147652632.db2.gz XWTGCOZWZZORMT-SJORKVTESA-N 2 2 316.449 2.028 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001367869779 1147763694 /nfs/dbraw/zinc/76/36/94/1147763694.db2.gz UXUFFPHXORZANW-UONOGXRCSA-N 2 2 324.856 2.278 20 30 DEEDLP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318063689 1147767778 /nfs/dbraw/zinc/76/77/78/1147767778.db2.gz UDOMCWZZFUQGFB-HZPDHXFCSA-N 2 2 318.465 2.294 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001324749882 1147839430 /nfs/dbraw/zinc/83/94/30/1147839430.db2.gz DOLHUMPWOBPQGO-SFHVURJKSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001325429217 1147907812 /nfs/dbraw/zinc/90/78/12/1147907812.db2.gz PMWGABWVLTYAJO-JKSUJKDBSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001326479338 1148109364 /nfs/dbraw/zinc/10/93/64/1148109364.db2.gz HDUYWZXLNCNUSP-OAHLLOKOSA-N 2 2 312.417 2.426 20 30 DEEDLP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1C[C@H]1C ZINC000083877292 355471114 /nfs/dbraw/zinc/47/11/14/355471114.db2.gz SENATRPRQHIAAC-IUODEOHRSA-N 2 2 315.396 2.475 20 30 DEEDLP Cn1cc[nH+]c1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000089926821 355547387 /nfs/dbraw/zinc/54/73/87/355547387.db2.gz WMAHLMPXJJILMZ-UHFFFAOYSA-N 2 2 314.820 2.247 20 30 DEEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000397639741 356719330 /nfs/dbraw/zinc/71/93/30/356719330.db2.gz RQSFCDUDFYCKGJ-KRWDZBQOSA-N 2 2 302.418 2.216 20 30 DEEDLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1C ZINC000591415794 357718936 /nfs/dbraw/zinc/71/89/36/357718936.db2.gz YTRBRSAOKYYULH-UHFFFAOYSA-N 2 2 303.797 2.301 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCC(O)CC3)CC2)c1 ZINC000593723767 358130820 /nfs/dbraw/zinc/13/08/20/358130820.db2.gz YQHPDNBGGAENDH-UHFFFAOYSA-N 2 2 313.445 2.416 20 30 DEEDLP N#Cc1ccccc1N1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000596988161 358801130 /nfs/dbraw/zinc/80/11/30/358801130.db2.gz UAVKOCRFEPSYEW-UHFFFAOYSA-N 2 2 321.428 2.413 20 30 DEEDLP N#Cc1ccccc1N1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000596988161 358801137 /nfs/dbraw/zinc/80/11/37/358801137.db2.gz UAVKOCRFEPSYEW-UHFFFAOYSA-N 2 2 321.428 2.413 20 30 DEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000598701777 359298512 /nfs/dbraw/zinc/29/85/12/359298512.db2.gz YTINEJVPEQKBRI-CQSZACIVSA-N 2 2 316.380 2.402 20 30 DEEDLP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598719342 359304778 /nfs/dbraw/zinc/30/47/78/359304778.db2.gz JLKNFCCYHVCXQN-DOTOQJQBSA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598719342 359304784 /nfs/dbraw/zinc/30/47/84/359304784.db2.gz JLKNFCCYHVCXQN-DOTOQJQBSA-N 2 2 303.450 2.397 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C3CCC3)CC2)cc1 ZINC000449740921 241015426 /nfs/dbraw/zinc/01/54/26/241015426.db2.gz RTCCSGGTCUOYBB-IBGZPJMESA-N 2 2 313.445 2.273 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267476381 206095180 /nfs/dbraw/zinc/09/51/80/206095180.db2.gz ZHBYVGDPHGCAFN-GJZGRUSLSA-N 2 2 302.422 2.178 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267476381 206095182 /nfs/dbraw/zinc/09/51/82/206095182.db2.gz ZHBYVGDPHGCAFN-GJZGRUSLSA-N 2 2 302.422 2.178 20 30 DEEDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354797 292048809 /nfs/dbraw/zinc/04/88/09/292048809.db2.gz KIZAJPLIPRVAAL-GOSISDBHSA-N 2 2 303.450 2.329 20 30 DEEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354797 292048810 /nfs/dbraw/zinc/04/88/10/292048810.db2.gz KIZAJPLIPRVAAL-GOSISDBHSA-N 2 2 303.450 2.329 20 30 DEEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354797 292048811 /nfs/dbraw/zinc/04/88/11/292048811.db2.gz KIZAJPLIPRVAAL-GOSISDBHSA-N 2 2 303.450 2.329 20 30 DEEDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000563354797 292048812 /nfs/dbraw/zinc/04/88/12/292048812.db2.gz KIZAJPLIPRVAAL-GOSISDBHSA-N 2 2 303.450 2.329 20 30 DEEDLP CCCCCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912382 402541355 /nfs/dbraw/zinc/54/13/55/402541355.db2.gz XJOZGQDNHWCBBU-UHFFFAOYSA-N 2 2 300.410 2.252 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266941490 403001609 /nfs/dbraw/zinc/00/16/09/403001609.db2.gz RKYOPCNBAGXERL-DZGCQCFKSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266941490 403001611 /nfs/dbraw/zinc/00/16/11/403001611.db2.gz RKYOPCNBAGXERL-DZGCQCFKSA-N 2 2 323.400 2.488 20 30 DEEDLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000287216372 403556938 /nfs/dbraw/zinc/55/69/38/403556938.db2.gz MXRSRYHLPPCBEF-MRXNPFEDSA-N 2 2 304.438 2.143 20 30 DEEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411826552 403983809 /nfs/dbraw/zinc/98/38/09/403983809.db2.gz YZMYNLNRJUEBOM-UHFFFAOYSA-N 2 2 322.840 2.470 20 30 DEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290096990 404039220 /nfs/dbraw/zinc/03/92/20/404039220.db2.gz WISTXTWGMFPGEZ-QGZVFWFLSA-N 2 2 304.434 2.138 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290096990 404039223 /nfs/dbraw/zinc/03/92/23/404039223.db2.gz WISTXTWGMFPGEZ-QGZVFWFLSA-N 2 2 304.434 2.138 20 30 DEEDLP C=CC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290096990 404039226 /nfs/dbraw/zinc/03/92/26/404039226.db2.gz WISTXTWGMFPGEZ-QGZVFWFLSA-N 2 2 304.434 2.138 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344555979 404224397 /nfs/dbraw/zinc/22/43/97/404224397.db2.gz YPRPTTNCANDKEQ-HXUWFJFHSA-N 2 2 321.424 2.285 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344555979 404224402 /nfs/dbraw/zinc/22/44/02/404224402.db2.gz YPRPTTNCANDKEQ-HXUWFJFHSA-N 2 2 321.424 2.285 20 30 DEEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329154629 404247191 /nfs/dbraw/zinc/24/71/91/404247191.db2.gz CAVBFUPYVUGGSU-MYSGWJLTSA-N 2 2 304.438 2.192 20 30 DEEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329154629 404247192 /nfs/dbraw/zinc/24/71/92/404247192.db2.gz CAVBFUPYVUGGSU-MYSGWJLTSA-N 2 2 304.438 2.192 20 30 DEEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329154629 404247198 /nfs/dbraw/zinc/24/71/98/404247198.db2.gz CAVBFUPYVUGGSU-MYSGWJLTSA-N 2 2 304.438 2.192 20 30 DEEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329154629 404247202 /nfs/dbraw/zinc/24/72/02/404247202.db2.gz CAVBFUPYVUGGSU-MYSGWJLTSA-N 2 2 304.438 2.192 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329319706 404301563 /nfs/dbraw/zinc/30/15/63/404301563.db2.gz TWXKXSVCOWKXNR-OCCSQVGLSA-N 2 2 303.410 2.087 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329319706 404301569 /nfs/dbraw/zinc/30/15/69/404301569.db2.gz TWXKXSVCOWKXNR-OCCSQVGLSA-N 2 2 303.410 2.087 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360345488 404825943 /nfs/dbraw/zinc/82/59/43/404825943.db2.gz QKICVNRFMCTCQG-INIZCTEOSA-N 2 2 305.466 2.136 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360345488 404825947 /nfs/dbraw/zinc/82/59/47/404825947.db2.gz QKICVNRFMCTCQG-INIZCTEOSA-N 2 2 305.466 2.136 20 30 DEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000434581448 404913622 /nfs/dbraw/zinc/91/36/22/404913622.db2.gz RKEPOHXMVDPHTE-KRWDZBQOSA-N 2 2 315.417 2.046 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611747 405466951 /nfs/dbraw/zinc/46/69/51/405466951.db2.gz PEVVPKBUCCFVJJ-HUUCEWRRSA-N 2 2 321.490 2.322 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611747 405466953 /nfs/dbraw/zinc/46/69/53/405466953.db2.gz PEVVPKBUCCFVJJ-HUUCEWRRSA-N 2 2 321.490 2.322 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000490590091 406472692 /nfs/dbraw/zinc/47/26/92/406472692.db2.gz NCYLNNLQAXOXDX-UHFFFAOYSA-N 2 2 308.385 2.156 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491371172 406579698 /nfs/dbraw/zinc/57/96/98/406579698.db2.gz CZJZWHXAKSKWMW-SFHVURJKSA-N 2 2 323.396 2.186 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491371172 406579702 /nfs/dbraw/zinc/57/97/02/406579702.db2.gz CZJZWHXAKSKWMW-SFHVURJKSA-N 2 2 323.396 2.186 20 30 DEEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000491659153 406655089 /nfs/dbraw/zinc/65/50/89/406655089.db2.gz MNGAISZLSNQUMN-QGZVFWFLSA-N 2 2 314.408 2.193 20 30 DEEDLP C#CC[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000491659153 406655093 /nfs/dbraw/zinc/65/50/93/406655093.db2.gz MNGAISZLSNQUMN-QGZVFWFLSA-N 2 2 314.408 2.193 20 30 DEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099033856 782014893 /nfs/dbraw/zinc/01/48/93/782014893.db2.gz OCABHVNWDFGNLH-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099033856 782014903 /nfs/dbraw/zinc/01/49/03/782014903.db2.gz OCABHVNWDFGNLH-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)c1 ZINC000264056728 225298824 /nfs/dbraw/zinc/29/88/24/225298824.db2.gz BFESHUZXCVURAE-KRWDZBQOSA-N 2 2 318.465 2.345 20 30 DEEDLP Cc1ncc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)s1 ZINC000267034391 225344288 /nfs/dbraw/zinc/34/42/88/225344288.db2.gz WIZXUJZHOCCSFC-UHFFFAOYSA-N 2 2 304.419 2.350 20 30 DEEDLP C=CCC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648926451 424929888 /nfs/dbraw/zinc/92/98/88/424929888.db2.gz XCWJEPPWCVGZMC-INIZCTEOSA-N 2 2 319.493 2.408 20 30 DEEDLP C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648926451 424929890 /nfs/dbraw/zinc/92/98/90/424929890.db2.gz XCWJEPPWCVGZMC-INIZCTEOSA-N 2 2 319.493 2.408 20 30 DEEDLP C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665385035 425558457 /nfs/dbraw/zinc/55/84/57/425558457.db2.gz UPAITGKECHBCEB-DLBZAZTESA-N 2 2 324.513 2.304 20 30 DEEDLP C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665385035 425558460 /nfs/dbraw/zinc/55/84/60/425558460.db2.gz UPAITGKECHBCEB-DLBZAZTESA-N 2 2 324.513 2.304 20 30 DEEDLP C=CCNC(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280238731 273485866 /nfs/dbraw/zinc/48/58/66/273485866.db2.gz NCKSDAPZDXNYNQ-UHFFFAOYSA-N 2 2 312.417 2.284 20 30 DEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCCC1 ZINC000171408290 275407676 /nfs/dbraw/zinc/40/76/76/275407676.db2.gz UCTAQYZPNSQEKS-OAHLLOKOSA-N 2 2 304.438 2.478 20 30 DEEDLP C[C@H]1C[NH+]=C(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)N1 ZINC000262629317 337619970 /nfs/dbraw/zinc/61/99/70/337619970.db2.gz FHXWWIXWSBRQKK-SWLSCSKDSA-N 2 2 306.841 2.414 20 30 DEEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264055153 528450255 /nfs/dbraw/zinc/45/02/55/528450255.db2.gz AMOGETOUIIZYMD-AWEZNQCLSA-N 2 2 322.453 2.011 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001379617470 1152654337 /nfs/dbraw/zinc/65/43/37/1152654337.db2.gz FFTJXMRLAYFLHZ-OFQRWUPVSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001379617470 1152654338 /nfs/dbraw/zinc/65/43/38/1152654338.db2.gz FFTJXMRLAYFLHZ-OFQRWUPVSA-N 2 2 313.873 2.192 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225223 625282917 /nfs/dbraw/zinc/28/29/17/625282917.db2.gz CDYZICPLGNGSII-JKSUJKDBSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225223 625282920 /nfs/dbraw/zinc/28/29/20/625282920.db2.gz CDYZICPLGNGSII-JKSUJKDBSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970408662 623444136 /nfs/dbraw/zinc/44/41/36/623444136.db2.gz ZEOYMMWUTHCRHF-UKRRQHHQSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645762 623896488 /nfs/dbraw/zinc/89/64/88/623896488.db2.gz MPONJPNCQHORPM-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645762 623896493 /nfs/dbraw/zinc/89/64/93/623896493.db2.gz MPONJPNCQHORPM-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680303 623948826 /nfs/dbraw/zinc/94/88/26/623948826.db2.gz XDLGAEOMRHYJNA-ZFWWWQNUSA-N 2 2 322.840 2.018 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021680303 623948829 /nfs/dbraw/zinc/94/88/29/623948829.db2.gz XDLGAEOMRHYJNA-ZFWWWQNUSA-N 2 2 322.840 2.018 20 30 DEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979993684 634817037 /nfs/dbraw/zinc/81/70/37/634817037.db2.gz WFLMCDBKTABNPO-IMJJTQAJSA-N 2 2 322.412 2.026 20 30 DEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979993684 634817043 /nfs/dbraw/zinc/81/70/43/634817043.db2.gz WFLMCDBKTABNPO-IMJJTQAJSA-N 2 2 322.412 2.026 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000996797262 633432441 /nfs/dbraw/zinc/43/24/41/633432441.db2.gz ZETPQSWNZNITAG-UHFFFAOYSA-N 2 2 318.808 2.281 20 30 DEEDLP C=CC[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997147342 633628226 /nfs/dbraw/zinc/62/82/26/633628226.db2.gz WYDWDKAEZQLSCO-UHFFFAOYSA-N 2 2 310.401 2.253 20 30 DEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997178226 633666654 /nfs/dbraw/zinc/66/66/54/633666654.db2.gz RGWQPOKQGOUEGG-CQSZACIVSA-N 2 2 324.428 2.417 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977540063 634033503 /nfs/dbraw/zinc/03/35/03/634033503.db2.gz ZDAGJFQUTCNSSK-OAHLLOKOSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977540063 634033506 /nfs/dbraw/zinc/03/35/06/634033506.db2.gz ZDAGJFQUTCNSSK-OAHLLOKOSA-N 2 2 304.438 2.053 20 30 DEEDLP CC#CC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000685221 635265283 /nfs/dbraw/zinc/26/52/83/635265283.db2.gz HITHWAYYHNMBCJ-UHFFFAOYSA-N 2 2 322.412 2.028 20 30 DEEDLP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000685221 635265287 /nfs/dbraw/zinc/26/52/87/635265287.db2.gz HITHWAYYHNMBCJ-UHFFFAOYSA-N 2 2 322.412 2.028 20 30 DEEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981092176 635305748 /nfs/dbraw/zinc/30/57/48/635305748.db2.gz SWBPFVLUNKIOPL-CVEARBPZSA-N 2 2 312.417 2.459 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704066 636571636 /nfs/dbraw/zinc/57/16/36/636571636.db2.gz NKOGGJYQXCSKFH-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704066 636571640 /nfs/dbraw/zinc/57/16/40/636571640.db2.gz NKOGGJYQXCSKFH-CALCHBBNSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985408009 639362029 /nfs/dbraw/zinc/36/20/29/639362029.db2.gz VIUJZAMZYWPOSQ-UHFFFAOYSA-N 2 2 310.829 2.018 20 30 DEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985408009 639362034 /nfs/dbraw/zinc/36/20/34/639362034.db2.gz VIUJZAMZYWPOSQ-UHFFFAOYSA-N 2 2 310.829 2.018 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985550846 639486871 /nfs/dbraw/zinc/48/68/71/639486871.db2.gz USWXTIBTHYBEGV-UHFFFAOYSA-N 2 2 324.856 2.028 20 30 DEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985550846 639486876 /nfs/dbraw/zinc/48/68/76/639486876.db2.gz USWXTIBTHYBEGV-UHFFFAOYSA-N 2 2 324.856 2.028 20 30 DEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000763231377 640519574 /nfs/dbraw/zinc/51/95/74/640519574.db2.gz NAICINWVRKBAHS-SFHVURJKSA-N 2 2 322.412 2.245 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000992778506 647242725 /nfs/dbraw/zinc/24/27/25/647242725.db2.gz FBDLQEROGAKYFM-GVDBMIGSSA-N 2 2 316.449 2.066 20 30 DEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000817919895 647382313 /nfs/dbraw/zinc/38/23/13/647382313.db2.gz WIFOEUWXCLYWBV-DJIMGWMZSA-N 2 2 317.433 2.224 20 30 DEEDLP C#Cc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000819357064 647642819 /nfs/dbraw/zinc/64/28/19/647642819.db2.gz KNJSDSMTIAEQRD-HXUWFJFHSA-N 2 2 308.425 2.250 20 30 DEEDLP C#Cc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000819357064 647642820 /nfs/dbraw/zinc/64/28/20/647642820.db2.gz KNJSDSMTIAEQRD-HXUWFJFHSA-N 2 2 308.425 2.250 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248739 649028170 /nfs/dbraw/zinc/02/81/70/649028170.db2.gz ZBESXWXXVNALMW-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248739 649028172 /nfs/dbraw/zinc/02/81/72/649028172.db2.gz ZBESXWXXVNALMW-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053012 649143242 /nfs/dbraw/zinc/14/32/42/649143242.db2.gz JANBVARJTNMKGH-YOEHRIQHSA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053012 649143243 /nfs/dbraw/zinc/14/32/43/649143243.db2.gz JANBVARJTNMKGH-YOEHRIQHSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942532528 649238410 /nfs/dbraw/zinc/23/84/10/649238410.db2.gz NEQMUKDHLGLYLZ-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942532528 649238413 /nfs/dbraw/zinc/23/84/13/649238413.db2.gz NEQMUKDHLGLYLZ-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054143295 693861378 /nfs/dbraw/zinc/86/13/78/693861378.db2.gz RNIBZFZMJQQODX-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054143295 693861383 /nfs/dbraw/zinc/86/13/83/693861383.db2.gz RNIBZFZMJQQODX-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054143295 693861387 /nfs/dbraw/zinc/86/13/87/693861387.db2.gz RNIBZFZMJQQODX-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054143295 693861391 /nfs/dbraw/zinc/86/13/91/693861391.db2.gz RNIBZFZMJQQODX-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234213 693894236 /nfs/dbraw/zinc/89/42/36/693894236.db2.gz ZVNDPXDCPLJKNN-GOSISDBHSA-N 2 2 316.449 2.151 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234213 693894240 /nfs/dbraw/zinc/89/42/40/693894240.db2.gz ZVNDPXDCPLJKNN-GOSISDBHSA-N 2 2 316.449 2.151 20 30 DEEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929849780 694042362 /nfs/dbraw/zinc/04/23/62/694042362.db2.gz XXESYASWPXJWLQ-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP N#CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929849780 694042366 /nfs/dbraw/zinc/04/23/66/694042366.db2.gz XXESYASWPXJWLQ-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP N#CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929849780 694042370 /nfs/dbraw/zinc/04/23/70/694042370.db2.gz XXESYASWPXJWLQ-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP N#CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929849780 694042373 /nfs/dbraw/zinc/04/23/73/694042373.db2.gz XXESYASWPXJWLQ-GUDVDZBRSA-N 2 2 313.445 2.247 20 30 DEEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001017932678 688004422 /nfs/dbraw/zinc/00/44/22/688004422.db2.gz KREBALCLQUXJLC-ZNMIVQPWSA-N 2 2 314.433 2.081 20 30 DEEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001017932678 688004427 /nfs/dbraw/zinc/00/44/27/688004427.db2.gz KREBALCLQUXJLC-ZNMIVQPWSA-N 2 2 314.433 2.081 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803044 689264908 /nfs/dbraw/zinc/26/49/08/689264908.db2.gz DFGXTGIONODWSC-BZSNNMDCSA-N 2 2 313.445 2.151 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803044 689264912 /nfs/dbraw/zinc/26/49/12/689264912.db2.gz DFGXTGIONODWSC-BZSNNMDCSA-N 2 2 313.445 2.151 20 30 DEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035763399 690170408 /nfs/dbraw/zinc/17/04/08/690170408.db2.gz WUZVOJXCZMCMKM-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001036122093 690267904 /nfs/dbraw/zinc/26/79/04/690267904.db2.gz HENMSTYLCIGWAE-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001036238280 690298814 /nfs/dbraw/zinc/29/88/14/690298814.db2.gz CLKJPLNLCWIAML-QAPCUYQASA-N 2 2 324.428 2.499 20 30 DEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001037856504 690625364 /nfs/dbraw/zinc/62/53/64/690625364.db2.gz RLBZYFQUDULUBS-NVXWUHKLSA-N 2 2 324.428 2.106 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001037963534 690650848 /nfs/dbraw/zinc/65/08/48/690650848.db2.gz QDCFSNUYNKCMMI-WBVHZDCISA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039174775 691040084 /nfs/dbraw/zinc/04/00/84/691040084.db2.gz CXABALIXQFBUIF-QGZVFWFLSA-N 2 2 316.449 2.020 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039174775 691040085 /nfs/dbraw/zinc/04/00/85/691040085.db2.gz CXABALIXQFBUIF-QGZVFWFLSA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039280996 691074343 /nfs/dbraw/zinc/07/43/43/691074343.db2.gz VLCRBYPONZIXGG-ALOPSCKCSA-N 2 2 316.449 2.420 20 30 DEEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039280996 691074345 /nfs/dbraw/zinc/07/43/45/691074345.db2.gz VLCRBYPONZIXGG-ALOPSCKCSA-N 2 2 316.449 2.420 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401410 691098112 /nfs/dbraw/zinc/09/81/12/691098112.db2.gz ARPDDAPMNVNJJJ-SJORKVTESA-N 2 2 322.412 2.037 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401410 691098116 /nfs/dbraw/zinc/09/81/16/691098116.db2.gz ARPDDAPMNVNJJJ-SJORKVTESA-N 2 2 322.412 2.037 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118648 691513538 /nfs/dbraw/zinc/51/35/38/691513538.db2.gz YBWBFHJJBDTEIW-KBXCAEBGSA-N 2 2 322.412 2.123 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118648 691513540 /nfs/dbraw/zinc/51/35/40/691513540.db2.gz YBWBFHJJBDTEIW-KBXCAEBGSA-N 2 2 322.412 2.123 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001044686090 691872181 /nfs/dbraw/zinc/87/21/81/691872181.db2.gz SPMZSEIXMCFAPT-UONOGXRCSA-N 2 2 324.856 2.074 20 30 DEEDLP C=CC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045437804 691980603 /nfs/dbraw/zinc/98/06/03/691980603.db2.gz BMPMZMVOFLSGML-UHFFFAOYSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976040 692066999 /nfs/dbraw/zinc/06/69/99/692066999.db2.gz PUKOKFSCHVTYSG-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976040 692067002 /nfs/dbraw/zinc/06/70/02/692067002.db2.gz PUKOKFSCHVTYSG-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cncc(C(=O)OC)c2)CC1 ZINC000886524887 692101191 /nfs/dbraw/zinc/10/11/91/692101191.db2.gz STBAXFFSXBJLOJ-CYBMUJFWSA-N 2 2 303.406 2.169 20 30 DEEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512751 692208539 /nfs/dbraw/zinc/20/85/39/692208539.db2.gz JYJRAOKTCVZBDR-LJQANCHMSA-N 2 2 322.412 2.090 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512751 692208543 /nfs/dbraw/zinc/20/85/43/692208543.db2.gz JYJRAOKTCVZBDR-LJQANCHMSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049550842 692918939 /nfs/dbraw/zinc/91/89/39/692918939.db2.gz NPGDLTCTXNDTOQ-RBSFLKMASA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049550842 692918942 /nfs/dbraw/zinc/91/89/42/692918942.db2.gz NPGDLTCTXNDTOQ-RBSFLKMASA-N 2 2 313.873 2.144 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049760254 692990700 /nfs/dbraw/zinc/99/07/00/692990700.db2.gz ZPXAGAHPGNYBAS-BRWVUGGUSA-N 2 2 316.449 2.476 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049760254 692990704 /nfs/dbraw/zinc/99/07/04/692990704.db2.gz ZPXAGAHPGNYBAS-BRWVUGGUSA-N 2 2 316.449 2.476 20 30 DEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925794552 693343454 /nfs/dbraw/zinc/34/34/54/693343454.db2.gz VETLKOHFOMMVJT-SJLPKXTDSA-N 2 2 311.429 2.294 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC)cc1 ZINC000926962385 693536100 /nfs/dbraw/zinc/53/61/00/693536100.db2.gz LNFZEKCHVDUPQQ-YJBOKZPZSA-N 2 2 304.434 2.316 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053056865 693678902 /nfs/dbraw/zinc/67/89/02/693678902.db2.gz FPWYXCZMKMYDAS-SJORKVTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053056865 693678904 /nfs/dbraw/zinc/67/89/04/693678904.db2.gz FPWYXCZMKMYDAS-SJORKVTESA-N 2 2 316.449 2.020 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001389359567 1155319406 /nfs/dbraw/zinc/31/94/06/1155319406.db2.gz TZGGFIAKZJCZOS-HIFRSBDPSA-N 2 2 324.856 2.074 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001399861968 1161591013 /nfs/dbraw/zinc/59/10/13/1161591013.db2.gz DWSCRTTZEFBPEL-HNNXBMFYSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001399861968 1161591017 /nfs/dbraw/zinc/59/10/17/1161591017.db2.gz DWSCRTTZEFBPEL-HNNXBMFYSA-N 2 2 324.856 2.305 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001403952666 1163327072 /nfs/dbraw/zinc/32/70/72/1163327072.db2.gz RZADZIICVFMNMI-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001403952666 1163327083 /nfs/dbraw/zinc/32/70/83/1163327083.db2.gz RZADZIICVFMNMI-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001403952666 1163327091 /nfs/dbraw/zinc/32/70/91/1163327091.db2.gz RZADZIICVFMNMI-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001403952666 1163327098 /nfs/dbraw/zinc/32/70/98/1163327098.db2.gz RZADZIICVFMNMI-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421292288 1171679659 /nfs/dbraw/zinc/67/96/59/1171679659.db2.gz FAOXFNQMIPQZRO-INIZCTEOSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421292288 1171679664 /nfs/dbraw/zinc/67/96/64/1171679664.db2.gz FAOXFNQMIPQZRO-INIZCTEOSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001423664330 1173475791 /nfs/dbraw/zinc/47/57/91/1173475791.db2.gz ZJNIZDOMXPOPSO-MRXNPFEDSA-N 2 2 324.856 2.268 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001437036496 1179367224 /nfs/dbraw/zinc/36/72/24/1179367224.db2.gz PCVSJWLOCBOGGY-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001437036496 1179367238 /nfs/dbraw/zinc/36/72/38/1179367238.db2.gz PCVSJWLOCBOGGY-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001437036496 1179367247 /nfs/dbraw/zinc/36/72/47/1179367247.db2.gz PCVSJWLOCBOGGY-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001437036496 1179367258 /nfs/dbraw/zinc/36/72/58/1179367258.db2.gz PCVSJWLOCBOGGY-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001443578789 1183039315 /nfs/dbraw/zinc/03/93/15/1183039315.db2.gz MTGINRCAKUTYMK-UHFFFAOYSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001443883334 1183180885 /nfs/dbraw/zinc/18/08/85/1183180885.db2.gz NWRAMVFWEMPCQB-HUUCEWRRSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001443883334 1183180894 /nfs/dbraw/zinc/18/08/94/1183180894.db2.gz NWRAMVFWEMPCQB-HUUCEWRRSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001443883334 1183180902 /nfs/dbraw/zinc/18/09/02/1183180902.db2.gz NWRAMVFWEMPCQB-HUUCEWRRSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001443883334 1183180909 /nfs/dbraw/zinc/18/09/09/1183180909.db2.gz NWRAMVFWEMPCQB-HUUCEWRRSA-N 2 2 313.873 2.004 20 30 DEEDLP C=CCCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001333012505 1149957853 /nfs/dbraw/zinc/95/78/53/1149957853.db2.gz ASXSGTXXYVKUJK-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291734 782626736 /nfs/dbraw/zinc/62/67/36/782626736.db2.gz JTJRMIZCPSIOEV-BRWVUGGUSA-N 2 2 318.465 2.340 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087306548 777761415 /nfs/dbraw/zinc/76/14/15/777761415.db2.gz KMESKPRYPUIEOQ-DJIMGWMZSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087306548 777761421 /nfs/dbraw/zinc/76/14/21/777761421.db2.gz KMESKPRYPUIEOQ-DJIMGWMZSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777582 778173451 /nfs/dbraw/zinc/17/34/51/778173451.db2.gz QXDUGWWHKTZANX-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777582 778173455 /nfs/dbraw/zinc/17/34/55/778173455.db2.gz QXDUGWWHKTZANX-ARFHVFGLSA-N 2 2 318.465 2.239 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087610410 779376235 /nfs/dbraw/zinc/37/62/35/779376235.db2.gz HNQSWQCCQTZOSZ-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001087610410 779376237 /nfs/dbraw/zinc/37/62/37/779376237.db2.gz HNQSWQCCQTZOSZ-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087610410 779376238 /nfs/dbraw/zinc/37/62/38/779376238.db2.gz HNQSWQCCQTZOSZ-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001087610410 779376240 /nfs/dbraw/zinc/37/62/40/779376240.db2.gz HNQSWQCCQTZOSZ-HGTKMLMNSA-N 2 2 302.422 2.058 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624697 779383795 /nfs/dbraw/zinc/38/37/95/779383795.db2.gz UVFCONTUZXXTLD-DOTOQJQBSA-N 2 2 310.401 2.169 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624697 779383800 /nfs/dbraw/zinc/38/38/00/779383800.db2.gz UVFCONTUZXXTLD-DOTOQJQBSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625569 779384281 /nfs/dbraw/zinc/38/42/81/779384281.db2.gz MMTTZSBDSLHCEU-ZNMIVQPWSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625569 779384284 /nfs/dbraw/zinc/38/42/84/779384284.db2.gz MMTTZSBDSLHCEU-ZNMIVQPWSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001087625569 779384290 /nfs/dbraw/zinc/38/42/90/779384290.db2.gz MMTTZSBDSLHCEU-ZNMIVQPWSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001087625569 779384295 /nfs/dbraw/zinc/38/42/95/779384295.db2.gz MMTTZSBDSLHCEU-ZNMIVQPWSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725488 779424886 /nfs/dbraw/zinc/42/48/86/779424886.db2.gz QQWZMXVLGRDCHI-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725488 779424889 /nfs/dbraw/zinc/42/48/89/779424889.db2.gz QQWZMXVLGRDCHI-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725488 779424892 /nfs/dbraw/zinc/42/48/92/779424892.db2.gz QQWZMXVLGRDCHI-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725488 779424896 /nfs/dbraw/zinc/42/48/96/779424896.db2.gz QQWZMXVLGRDCHI-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985484757 779862974 /nfs/dbraw/zinc/86/29/74/779862974.db2.gz MVVTWIPSLJKDSF-HUUCEWRRSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985484757 779862978 /nfs/dbraw/zinc/86/29/78/779862978.db2.gz MVVTWIPSLJKDSF-HUUCEWRRSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985484757 779862984 /nfs/dbraw/zinc/86/29/84/779862984.db2.gz MVVTWIPSLJKDSF-HUUCEWRRSA-N 2 2 302.422 2.012 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985484757 779862990 /nfs/dbraw/zinc/86/29/90/779862990.db2.gz MVVTWIPSLJKDSF-HUUCEWRRSA-N 2 2 302.422 2.012 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966100841 783561481 /nfs/dbraw/zinc/56/14/81/783561481.db2.gz HOTKZVMIRNASDG-YOEHRIQHSA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966100841 783561484 /nfs/dbraw/zinc/56/14/84/783561484.db2.gz HOTKZVMIRNASDG-YOEHRIQHSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711970 785508327 /nfs/dbraw/zinc/50/83/27/785508327.db2.gz YCLSHHBUDUCKPG-IMJJTQAJSA-N 2 2 322.412 2.169 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109976018 786117821 /nfs/dbraw/zinc/11/78/21/786117821.db2.gz NRHSBIMFPPJPTD-JHNDHUHGSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109976018 786117824 /nfs/dbraw/zinc/11/78/24/786117824.db2.gz NRHSBIMFPPJPTD-JHNDHUHGSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CCCC[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112853520 786257403 /nfs/dbraw/zinc/25/74/03/786257403.db2.gz BXHIAXOLUMHTJI-UHFFFAOYSA-N 2 2 312.417 2.367 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994526 787441868 /nfs/dbraw/zinc/44/18/68/787441868.db2.gz HWSZGPKWUDNEDH-VRKREXBASA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994526 787441874 /nfs/dbraw/zinc/44/18/74/787441874.db2.gz HWSZGPKWUDNEDH-VRKREXBASA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132455926 788077414 /nfs/dbraw/zinc/07/74/14/788077414.db2.gz ATVBUOHHOWKOEL-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132455926 788077422 /nfs/dbraw/zinc/07/74/22/788077422.db2.gz ATVBUOHHOWKOEL-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782792 788191151 /nfs/dbraw/zinc/19/11/51/788191151.db2.gz RZPYXJLVGBRYDA-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919947 788227350 /nfs/dbraw/zinc/22/73/50/788227350.db2.gz PBQWNGQBKZGPHX-HOCLYGCPSA-N 2 2 318.465 2.187 20 30 DEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097822049 788243907 /nfs/dbraw/zinc/24/39/07/788243907.db2.gz XYJIQSXZBCQDQG-XOUADPBQSA-N 2 2 314.433 2.127 20 30 DEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097822049 788243910 /nfs/dbraw/zinc/24/39/10/788243910.db2.gz XYJIQSXZBCQDQG-XOUADPBQSA-N 2 2 314.433 2.127 20 30 DEEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732840 789065739 /nfs/dbraw/zinc/06/57/39/789065739.db2.gz ONQBDKINBXDWFS-KBPBESRZSA-N 2 2 305.422 2.082 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092607380 792084147 /nfs/dbraw/zinc/08/41/47/792084147.db2.gz VKFDDEBWWJLSQB-CZUORRHYSA-N 2 2 312.417 2.126 20 30 DEEDLP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092607380 792084160 /nfs/dbraw/zinc/08/41/60/792084160.db2.gz VKFDDEBWWJLSQB-CZUORRHYSA-N 2 2 312.417 2.126 20 30 DEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536430 793217219 /nfs/dbraw/zinc/21/72/19/793217219.db2.gz HSVLEAFCBGLVHY-UHFFFAOYSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001094946553 793504714 /nfs/dbraw/zinc/50/47/14/793504714.db2.gz MTDPALMLXGHIQL-CFVMTHIKSA-N 2 2 310.401 2.332 20 30 DEEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094963125 793519154 /nfs/dbraw/zinc/51/91/54/793519154.db2.gz SVDDRJKXBKHMNE-ZNMIVQPWSA-N 2 2 310.401 2.103 20 30 DEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414543 793607685 /nfs/dbraw/zinc/60/76/85/793607685.db2.gz IIIBLLZKIBJZQF-BZUAXINKSA-N 2 2 304.438 2.094 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414543 793607693 /nfs/dbraw/zinc/60/76/93/793607693.db2.gz IIIBLLZKIBJZQF-BZUAXINKSA-N 2 2 304.438 2.094 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643772 794253567 /nfs/dbraw/zinc/25/35/67/794253567.db2.gz GSKGNTIJHZXCTN-GJZGRUSLSA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643772 794253573 /nfs/dbraw/zinc/25/35/73/794253573.db2.gz GSKGNTIJHZXCTN-GJZGRUSLSA-N 2 2 306.454 2.429 20 30 DEEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110194198 794393590 /nfs/dbraw/zinc/39/35/90/794393590.db2.gz VXVRJBZHSQCZBR-SQNIBIBYSA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110194198 794393597 /nfs/dbraw/zinc/39/35/97/794393597.db2.gz VXVRJBZHSQCZBR-SQNIBIBYSA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194198 794393608 /nfs/dbraw/zinc/39/36/08/794393608.db2.gz VXVRJBZHSQCZBR-SQNIBIBYSA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194198 794393612 /nfs/dbraw/zinc/39/36/12/794393612.db2.gz VXVRJBZHSQCZBR-SQNIBIBYSA-N 2 2 313.445 2.026 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880465 795019368 /nfs/dbraw/zinc/01/93/68/795019368.db2.gz LTUUHODKYUACPK-HNNXBMFYSA-N 2 2 318.465 2.275 20 30 DEEDLP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880465 795019373 /nfs/dbraw/zinc/01/93/73/795019373.db2.gz LTUUHODKYUACPK-HNNXBMFYSA-N 2 2 318.465 2.275 20 30 DEEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956935 795038219 /nfs/dbraw/zinc/03/82/19/795038219.db2.gz FNEKNZVYZHAGMA-YESZJQIVSA-N 2 2 316.449 2.073 20 30 DEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121895954 795700795 /nfs/dbraw/zinc/70/07/95/795700795.db2.gz KCHDIXUTUHDBDC-QCAIOMPUSA-N 2 2 316.449 2.181 20 30 DEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121895954 795700799 /nfs/dbraw/zinc/70/07/99/795700799.db2.gz KCHDIXUTUHDBDC-QCAIOMPUSA-N 2 2 316.449 2.181 20 30 DEEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139647639 796406437 /nfs/dbraw/zinc/40/64/37/796406437.db2.gz LVLAROFBADQJNO-UHFFFAOYSA-N 2 2 316.380 2.327 20 30 DEEDLP COCC[N@H+](Cc1ccc(C)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001139724330 796416686 /nfs/dbraw/zinc/41/66/86/796416686.db2.gz OPNRDJNPQLZKLR-UHFFFAOYSA-N 2 2 301.434 2.409 20 30 DEEDLP COCC[N@@H+](Cc1ccc(C)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001139724330 796416689 /nfs/dbraw/zinc/41/66/89/796416689.db2.gz OPNRDJNPQLZKLR-UHFFFAOYSA-N 2 2 301.434 2.409 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190901213 797095772 /nfs/dbraw/zinc/09/57/72/797095772.db2.gz WNGJZDFSBBVQCC-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190901213 797095777 /nfs/dbraw/zinc/09/57/77/797095777.db2.gz WNGJZDFSBBVQCC-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189162 797703955 /nfs/dbraw/zinc/70/39/55/797703955.db2.gz JQHSNEWFLSAROQ-ZIAGYGMSSA-N 2 2 304.438 2.232 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189162 797703958 /nfs/dbraw/zinc/70/39/58/797703958.db2.gz JQHSNEWFLSAROQ-ZIAGYGMSSA-N 2 2 304.438 2.232 20 30 DEEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269086 798168847 /nfs/dbraw/zinc/16/88/47/798168847.db2.gz BTMKJQGGOIGXIQ-UHFFFAOYSA-N 2 2 304.438 2.233 20 30 DEEDLP C=CCCCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269086 798168848 /nfs/dbraw/zinc/16/88/48/798168848.db2.gz BTMKJQGGOIGXIQ-UHFFFAOYSA-N 2 2 304.438 2.233 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197951680 798261807 /nfs/dbraw/zinc/26/18/07/798261807.db2.gz ZMOPEKBNMQUZDO-CQSZACIVSA-N 2 2 304.438 2.150 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197951680 798261813 /nfs/dbraw/zinc/26/18/13/798261813.db2.gz ZMOPEKBNMQUZDO-CQSZACIVSA-N 2 2 304.438 2.150 20 30 DEEDLP C=CCCC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201589107 798775244 /nfs/dbraw/zinc/77/52/44/798775244.db2.gz XDARFWBUESPTPA-UHFFFAOYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516142 800367156 /nfs/dbraw/zinc/36/71/56/800367156.db2.gz QEZVOXNNROOLTB-UHFFFAOYSA-N 2 2 317.433 2.037 20 30 DEEDLP C#CCC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205731153 800410794 /nfs/dbraw/zinc/41/07/94/800410794.db2.gz BMYWNGWDKYSZOC-UHFFFAOYSA-N 2 2 313.445 2.472 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921300 800628402 /nfs/dbraw/zinc/62/84/02/800628402.db2.gz JSYPBSVVTGUPOD-QLFBSQMISA-N 2 2 304.438 2.134 20 30 DEEDLP 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2.180 20 30 DEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC001237394381 1138606502 /nfs/dbraw/zinc/60/65/02/1138606502.db2.gz VDQQIQOMXZDLQZ-IAGOWNOFSA-N 2 2 314.429 2.281 20 30 DEEDLP C#CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC001237394381 1138606519 /nfs/dbraw/zinc/60/65/19/1138606519.db2.gz VDQQIQOMXZDLQZ-IAGOWNOFSA-N 2 2 314.429 2.281 20 30 DEEDLP Cc1cc(N(C)C)[nH+]cc1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001241229081 1139757841 /nfs/dbraw/zinc/75/78/41/1139757841.db2.gz WNTMYQCPTKJHAL-UHFFFAOYSA-N 2 2 307.401 2.426 20 30 DEEDLP C=CCCC[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319209193 1140526782 /nfs/dbraw/zinc/52/67/82/1140526782.db2.gz NMNMBHORYPRTIB-CYBMUJFWSA-N 2 2 300.406 2.485 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319620019 1140626979 /nfs/dbraw/zinc/62/69/79/1140626979.db2.gz MJOIHIBGBZLAHW-HZPDHXFCSA-N 2 2 318.465 2.142 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323478883 1141857041 /nfs/dbraw/zinc/85/70/41/1141857041.db2.gz BESMKWIBTRNMOU-GJZGRUSLSA-N 2 2 316.449 2.039 20 30 DEEDLP N#CC1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC[NH2+]CC1 ZINC001249269677 1141866999 /nfs/dbraw/zinc/86/69/99/1141866999.db2.gz SZFBDQLBVWSPQW-UHFFFAOYSA-N 2 2 320.356 2.067 20 30 DEEDLP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CC[C@H](C#N)C2)CCC([NH3+])CC1 ZINC001254634624 1143292220 /nfs/dbraw/zinc/29/22/20/1143292220.db2.gz AOQVFKOJTOFLKF-XCCIUEIHSA-N 2 2 307.438 2.250 20 30 DEEDLP CC[C@H](CC#N)[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001255170226 1143463176 /nfs/dbraw/zinc/46/31/76/1143463176.db2.gz PKVYRRDUYVWRKD-MRXNPFEDSA-N 2 2 315.465 2.419 20 30 DEEDLP CC[C@H](CC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001255170226 1143463183 /nfs/dbraw/zinc/46/31/83/1143463183.db2.gz PKVYRRDUYVWRKD-MRXNPFEDSA-N 2 2 315.465 2.419 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001279103590 1144091469 /nfs/dbraw/zinc/09/14/69/1144091469.db2.gz RZVWBPZTXAMVTE-XJKSGUPXSA-N 2 2 312.417 2.126 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001264187449 1144500896 /nfs/dbraw/zinc/50/08/96/1144500896.db2.gz UHTBBSKJUNVHIZ-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001264187449 1144500901 /nfs/dbraw/zinc/50/09/01/1144500901.db2.gz UHTBBSKJUNVHIZ-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264685849 1144592944 /nfs/dbraw/zinc/59/29/44/1144592944.db2.gz SPXAIXVBGJQJDR-MRXNPFEDSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227609 1144672674 /nfs/dbraw/zinc/67/26/74/1144672674.db2.gz ZMFRTNPOFCUUNA-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227609 1144672679 /nfs/dbraw/zinc/67/26/79/1144672679.db2.gz ZMFRTNPOFCUUNA-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265227609 1144672684 /nfs/dbraw/zinc/67/26/84/1144672684.db2.gz ZMFRTNPOFCUUNA-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265227609 1144672691 /nfs/dbraw/zinc/67/26/91/1144672691.db2.gz ZMFRTNPOFCUUNA-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265673731 1144725839 /nfs/dbraw/zinc/72/58/39/1144725839.db2.gz KXIKAGPFPLCLOP-MRXNPFEDSA-N 2 2 318.465 2.473 20 30 DEEDLP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001280357229 1144836437 /nfs/dbraw/zinc/83/64/37/1144836437.db2.gz VUHKFVIOMBJAQQ-ZDUSSCGKSA-N 2 2 312.417 2.414 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282716129 1145141531 /nfs/dbraw/zinc/14/15/31/1145141531.db2.gz GGMJRLBRUBDSKR-UONOGXRCSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282716129 1145141541 /nfs/dbraw/zinc/14/15/41/1145141541.db2.gz GGMJRLBRUBDSKR-UONOGXRCSA-N 2 2 304.438 2.134 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001282834914 1145175008 /nfs/dbraw/zinc/17/50/08/1145175008.db2.gz WTQBDVILYZLQFD-DLBZAZTESA-N 2 2 315.461 2.302 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001282834914 1145175011 /nfs/dbraw/zinc/17/50/11/1145175011.db2.gz WTQBDVILYZLQFD-DLBZAZTESA-N 2 2 315.461 2.302 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284957355 1145993170 /nfs/dbraw/zinc/99/31/70/1145993170.db2.gz PXZIBNBURPGBEE-CQSZACIVSA-N 2 2 302.422 2.055 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284957355 1145993180 /nfs/dbraw/zinc/99/31/80/1145993180.db2.gz PXZIBNBURPGBEE-CQSZACIVSA-N 2 2 302.422 2.055 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317204746 1147676296 /nfs/dbraw/zinc/67/62/96/1147676296.db2.gz QXIIRESUXZTQEP-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317204746 1147676298 /nfs/dbraw/zinc/67/62/98/1147676298.db2.gz QXIIRESUXZTQEP-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317204746 1147676300 /nfs/dbraw/zinc/67/63/00/1147676300.db2.gz QXIIRESUXZTQEP-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317204746 1147676302 /nfs/dbraw/zinc/67/63/02/1147676302.db2.gz QXIIRESUXZTQEP-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001325429214 1147907658 /nfs/dbraw/zinc/90/76/58/1147907658.db2.gz PMWGABWVLTYAJO-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000247328060 530056798 /nfs/dbraw/zinc/05/67/98/530056798.db2.gz UMVZJONRWPQBHA-RTBURBONSA-N 2 2 312.461 2.353 20 30 DEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000247328060 530056799 /nfs/dbraw/zinc/05/67/99/530056799.db2.gz UMVZJONRWPQBHA-RTBURBONSA-N 2 2 312.461 2.353 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)ccc2[nH+]1 ZINC000329842323 404468778 /nfs/dbraw/zinc/46/87/78/404468778.db2.gz NULRWIDWUAEEEN-QWHCGFSZSA-N 2 2 301.394 2.213 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)ccc2[nH+]1 ZINC000329842323 404468786 /nfs/dbraw/zinc/46/87/86/404468786.db2.gz NULRWIDWUAEEEN-QWHCGFSZSA-N 2 2 301.394 2.213 20 30 DEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595512505 358470564 /nfs/dbraw/zinc/47/05/64/358470564.db2.gz PCMOAWLOKWPPDD-UHFFFAOYSA-N 2 2 315.461 2.439 20 30 DEEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000397639744 356718938 /nfs/dbraw/zinc/71/89/38/356718938.db2.gz RQSFCDUDFYCKGJ-QGZVFWFLSA-N 2 2 302.418 2.216 20 30 DEEDLP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000578639623 356849031 /nfs/dbraw/zinc/84/90/31/356849031.db2.gz AIEMDHOLASXYEI-OAHLLOKOSA-N 2 2 300.406 2.160 20 30 DEEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc12 ZINC000581072034 357126417 /nfs/dbraw/zinc/12/64/17/357126417.db2.gz SKSLQNSVOOGFLE-QGZVFWFLSA-N 2 2 324.432 2.051 20 30 DEEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc12 ZINC000581072034 357126422 /nfs/dbraw/zinc/12/64/22/357126422.db2.gz SKSLQNSVOOGFLE-QGZVFWFLSA-N 2 2 324.432 2.051 20 30 DEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593323759 358054378 /nfs/dbraw/zinc/05/43/78/358054378.db2.gz WMSUNBDRAQJRBA-GOSISDBHSA-N 3 2 312.461 2.254 20 30 DEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598587528 359251401 /nfs/dbraw/zinc/25/14/01/359251401.db2.gz BLIOMACUPRSCHC-HUUCEWRRSA-N 2 2 304.438 2.383 20 30 DEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598587528 359251406 /nfs/dbraw/zinc/25/14/06/359251406.db2.gz BLIOMACUPRSCHC-HUUCEWRRSA-N 2 2 304.438 2.383 20 30 DEEDLP CC(C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271920035 209324413 /nfs/dbraw/zinc/32/44/13/209324413.db2.gz ZZJWPZKFTNLJHG-SFHVURJKSA-N 2 2 301.434 2.129 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157418 361285350 /nfs/dbraw/zinc/28/53/50/361285350.db2.gz LJNYYGNRTGHWSN-PBHICJAKSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157418 361285353 /nfs/dbraw/zinc/28/53/53/361285353.db2.gz LJNYYGNRTGHWSN-PBHICJAKSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000611393551 361591212 /nfs/dbraw/zinc/59/12/12/361591212.db2.gz WKNFBZPREPKAPV-BEFAXECRSA-N 2 2 313.445 2.494 20 30 DEEDLP N#Cc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000564822887 292113040 /nfs/dbraw/zinc/11/30/40/292113040.db2.gz TUVSZYLMJWWPMZ-GOSISDBHSA-N 2 2 319.412 2.462 20 30 DEEDLP C=CC[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000121144308 402017635 /nfs/dbraw/zinc/01/76/35/402017635.db2.gz UCARMYDMRUJKQZ-UHFFFAOYSA-N 2 2 322.478 2.431 20 30 DEEDLP C=CC[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000121144308 402017638 /nfs/dbraw/zinc/01/76/38/402017638.db2.gz UCARMYDMRUJKQZ-UHFFFAOYSA-N 2 2 322.478 2.431 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266941498 403001498 /nfs/dbraw/zinc/00/14/98/403001498.db2.gz RKYOPCNBAGXERL-UKRRQHHQSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266941498 403001500 /nfs/dbraw/zinc/00/15/00/403001500.db2.gz RKYOPCNBAGXERL-UKRRQHHQSA-N 2 2 323.400 2.488 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267440796 403039073 /nfs/dbraw/zinc/03/90/73/403039073.db2.gz OXRLFHBHZXZFFF-CABCVRRESA-N 2 2 304.438 2.402 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267440796 403039076 /nfs/dbraw/zinc/03/90/76/403039076.db2.gz OXRLFHBHZXZFFF-CABCVRRESA-N 2 2 304.438 2.402 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000289264074 403890039 /nfs/dbraw/zinc/89/00/39/403890039.db2.gz MZAUFJGJANBKEC-UHFFFAOYSA-N 2 2 306.406 2.149 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362389629 403952194 /nfs/dbraw/zinc/95/21/94/403952194.db2.gz BWIKKODNEUGRCF-BQFCYCMXSA-N 2 2 322.497 2.093 20 30 DEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362389629 403952201 /nfs/dbraw/zinc/95/22/01/403952201.db2.gz BWIKKODNEUGRCF-BQFCYCMXSA-N 2 2 322.497 2.093 20 30 DEEDLP Cc1cc[nH+]c(C)c1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000351921829 404008765 /nfs/dbraw/zinc/00/87/65/404008765.db2.gz BAJCSACQGRXFAS-UHFFFAOYSA-N 2 2 303.410 2.398 20 30 DEEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)CCC2 ZINC000328641666 404121859 /nfs/dbraw/zinc/12/18/59/404121859.db2.gz DHMKCNHWMBAOEE-OAHLLOKOSA-N 2 2 319.453 2.011 20 30 DEEDLP C=CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCOC ZINC000352411990 404351578 /nfs/dbraw/zinc/35/15/78/404351578.db2.gz ATYCSEQAULQWHP-UHFFFAOYSA-N 2 2 317.477 2.333 20 30 DEEDLP C=CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCOC ZINC000352411990 404351587 /nfs/dbraw/zinc/35/15/87/404351587.db2.gz ATYCSEQAULQWHP-UHFFFAOYSA-N 2 2 317.477 2.333 20 30 DEEDLP COc1cccc([C@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)c1 ZINC000399557964 405062019 /nfs/dbraw/zinc/06/20/19/405062019.db2.gz DHKYRAWSXYVDHG-SFHVURJKSA-N 2 2 310.401 2.407 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000636575124 406015001 /nfs/dbraw/zinc/01/50/01/406015001.db2.gz VHTLVBBOQNSODX-HNNXBMFYSA-N 2 2 319.453 2.250 20 30 DEEDLP Cc1cc(NCC2([NH+]3CCSCC3)CCCC2)c(C#N)c[nH+]1 ZINC000567719032 406125860 /nfs/dbraw/zinc/12/58/60/406125860.db2.gz SLPBCDZVIDUMDC-UHFFFAOYSA-N 2 2 316.474 2.457 20 30 DEEDLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000535207356 406215832 /nfs/dbraw/zinc/21/58/32/406215832.db2.gz RMIUZPYJYUSGSU-AWEZNQCLSA-N 2 2 324.384 2.448 20 30 DEEDLP COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000535207356 406215836 /nfs/dbraw/zinc/21/58/36/406215836.db2.gz RMIUZPYJYUSGSU-AWEZNQCLSA-N 2 2 324.384 2.448 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000569931832 406323369 /nfs/dbraw/zinc/32/33/69/406323369.db2.gz NEFSQSUVURPKTM-HNNXBMFYSA-N 2 2 313.445 2.446 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000554075125 406783111 /nfs/dbraw/zinc/78/31/11/406783111.db2.gz QWBFPZQEZUJLMU-YJBOKZPZSA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000554075125 406783114 /nfs/dbraw/zinc/78/31/14/406783114.db2.gz QWBFPZQEZUJLMU-YJBOKZPZSA-N 2 2 316.449 2.180 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000264094880 225302676 /nfs/dbraw/zinc/30/26/76/225302676.db2.gz LSPIYUWHRQMJLB-QGZVFWFLSA-N 2 2 318.465 2.387 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000374425868 227133428 /nfs/dbraw/zinc/13/34/28/227133428.db2.gz AEXARQPRWOGMLV-GUDVDZBRSA-N 2 2 316.420 2.361 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000374425868 227133433 /nfs/dbraw/zinc/13/34/33/227133433.db2.gz AEXARQPRWOGMLV-GUDVDZBRSA-N 2 2 316.420 2.361 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329184259 295380982 /nfs/dbraw/zinc/38/09/82/295380982.db2.gz PSWIXWRDOKRPHL-KFWWJZLASA-N 2 2 317.437 2.478 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329184259 295380985 /nfs/dbraw/zinc/38/09/85/295380985.db2.gz PSWIXWRDOKRPHL-KFWWJZLASA-N 2 2 317.437 2.478 20 30 DEEDLP C=CCc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(OC)c1O ZINC000548295038 341254694 /nfs/dbraw/zinc/25/46/94/341254694.db2.gz OYPMBEROFCPUJJ-HNNXBMFYSA-N 2 2 313.401 2.430 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001330261860 1149081731 /nfs/dbraw/zinc/08/17/31/1149081731.db2.gz IHMJEQDVATVTPR-CABCVRRESA-N 2 2 304.438 2.064 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001330261860 1149081738 /nfs/dbraw/zinc/08/17/38/1149081738.db2.gz IHMJEQDVATVTPR-CABCVRRESA-N 2 2 304.438 2.064 20 30 DEEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCSCc1ccccc1C#N ZINC000422988314 534210672 /nfs/dbraw/zinc/21/06/72/534210672.db2.gz KJCSBIIMLMPRSN-YOEHRIQHSA-N 2 2 319.474 2.148 20 30 DEEDLP C=CC[N@@H+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000189424799 526301267 /nfs/dbraw/zinc/30/12/67/526301267.db2.gz VIZQNVIMVGSUMR-INIZCTEOSA-N 2 2 317.433 2.148 20 30 DEEDLP C=CC[N@H+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000189424799 526301270 /nfs/dbraw/zinc/30/12/70/526301270.db2.gz VIZQNVIMVGSUMR-INIZCTEOSA-N 2 2 317.433 2.148 20 30 DEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263258064 526369282 /nfs/dbraw/zinc/36/92/82/526369282.db2.gz ROEFWSATMIAKKK-GFCCVEGCSA-N 2 2 308.495 2.458 20 30 DEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263258064 526369286 /nfs/dbraw/zinc/36/92/86/526369286.db2.gz ROEFWSATMIAKKK-GFCCVEGCSA-N 2 2 308.495 2.458 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370064702 526521000 /nfs/dbraw/zinc/52/10/00/526521000.db2.gz WLLIMBPBFXMQRX-OAHLLOKOSA-N 2 2 304.438 2.024 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370064702 526521006 /nfs/dbraw/zinc/52/10/06/526521006.db2.gz WLLIMBPBFXMQRX-OAHLLOKOSA-N 2 2 304.438 2.024 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000294994746 526827012 /nfs/dbraw/zinc/82/70/12/526827012.db2.gz LQGLDECUYNBPMT-AWEZNQCLSA-N 2 2 317.433 2.259 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000294994746 526827016 /nfs/dbraw/zinc/82/70/16/526827016.db2.gz LQGLDECUYNBPMT-AWEZNQCLSA-N 2 2 317.433 2.259 20 30 DEEDLP C=CCOc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422912923 526952465 /nfs/dbraw/zinc/95/24/65/526952465.db2.gz XKDYRZKAODZYJR-ZWKOTPCHSA-N 2 2 302.418 2.108 20 30 DEEDLP C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370449692 527022415 /nfs/dbraw/zinc/02/24/15/527022415.db2.gz MFQOHULMEWVGNS-SFHVURJKSA-N 2 2 319.493 2.382 20 30 DEEDLP C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370449692 527022417 /nfs/dbraw/zinc/02/24/17/527022417.db2.gz MFQOHULMEWVGNS-SFHVURJKSA-N 2 2 319.493 2.382 20 30 DEEDLP C#CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246578277 527151207 /nfs/dbraw/zinc/15/12/07/527151207.db2.gz YLLKBAFGPSVPLX-DOTOQJQBSA-N 2 2 303.475 2.248 20 30 DEEDLP C#CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246578277 527151214 /nfs/dbraw/zinc/15/12/14/527151214.db2.gz YLLKBAFGPSVPLX-DOTOQJQBSA-N 2 2 303.475 2.248 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000341889567 527190697 /nfs/dbraw/zinc/19/06/97/527190697.db2.gz RVDFFOJCRAXDPZ-BQFCYCMXSA-N 2 2 303.450 2.066 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000341889567 527190701 /nfs/dbraw/zinc/19/07/01/527190701.db2.gz RVDFFOJCRAXDPZ-BQFCYCMXSA-N 2 2 303.450 2.066 20 30 DEEDLP CC(C)Cc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262343148 528657759 /nfs/dbraw/zinc/65/77/59/528657759.db2.gz ZDBARNWWXCSXSE-KRWDZBQOSA-N 2 2 302.466 2.379 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459485 625453157 /nfs/dbraw/zinc/45/31/57/625453157.db2.gz OKHPGJCAMPFEPY-CABCVRRESA-N 2 2 324.428 2.417 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459485 625453159 /nfs/dbraw/zinc/45/31/59/625453159.db2.gz OKHPGJCAMPFEPY-CABCVRRESA-N 2 2 324.428 2.417 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482157 625474866 /nfs/dbraw/zinc/47/48/66/625474866.db2.gz MWNYHXBONPRSQM-HOTGVXAUSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482157 625474868 /nfs/dbraw/zinc/47/48/68/625474868.db2.gz MWNYHXBONPRSQM-HOTGVXAUSA-N 2 2 324.428 2.188 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021679939 623948516 /nfs/dbraw/zinc/94/85/16/623948516.db2.gz VCCIGISDDZKSSW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021679939 623948523 /nfs/dbraw/zinc/94/85/23/623948523.db2.gz VCCIGISDDZKSSW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001022080881 624192936 /nfs/dbraw/zinc/19/29/36/624192936.db2.gz PGZOLCOBSBREAE-OKILXGFUSA-N 2 2 318.808 2.246 20 30 DEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997670687 633924024 /nfs/dbraw/zinc/92/40/24/633924024.db2.gz SMTRRPXZVXUSDJ-AWEZNQCLSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027573445 634174490 /nfs/dbraw/zinc/17/44/90/634174490.db2.gz FTEKJVIAMCYMMK-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027573445 634174491 /nfs/dbraw/zinc/17/44/91/634174491.db2.gz FTEKJVIAMCYMMK-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027598207 634247909 /nfs/dbraw/zinc/24/79/09/634247909.db2.gz NOJKHFDARFPHTJ-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001027598207 634247914 /nfs/dbraw/zinc/24/79/14/634247914.db2.gz NOJKHFDARFPHTJ-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980235121 634904213 /nfs/dbraw/zinc/90/42/13/634904213.db2.gz ZOULYOCRFBQQCV-JYJNAYRXSA-N 2 2 316.449 2.053 20 30 DEEDLP C=CCC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000981161976 635342495 /nfs/dbraw/zinc/34/24/95/635342495.db2.gz KUQZFQQGLJDJLC-UHFFFAOYSA-N 2 2 312.417 2.367 20 30 DEEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000981432751 635477335 /nfs/dbraw/zinc/47/73/35/635477335.db2.gz CUNPDCSGDZRZSA-IRXDYDNUSA-N 2 2 322.412 2.136 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239707 635946063 /nfs/dbraw/zinc/94/60/63/635946063.db2.gz VCRPUEUQPVVZKY-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239707 635946065 /nfs/dbraw/zinc/94/60/65/635946065.db2.gz VCRPUEUQPVVZKY-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001005532343 636761565 /nfs/dbraw/zinc/76/15/65/636761565.db2.gz HLDBRASGFPHFTJ-HZPDHXFCSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001005532343 636761570 /nfs/dbraw/zinc/76/15/70/636761570.db2.gz HLDBRASGFPHFTJ-HZPDHXFCSA-N 2 2 316.449 2.402 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000985696332 639589676 /nfs/dbraw/zinc/58/96/76/639589676.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000985696332 639589678 /nfs/dbraw/zinc/58/96/78/639589678.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000985696332 639589681 /nfs/dbraw/zinc/58/96/81/639589681.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 2 304.438 2.087 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000985696332 639589682 /nfs/dbraw/zinc/58/96/82/639589682.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 2 304.438 2.087 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H](O)C3CC3)CC2)cc1 ZINC000898204212 641046712 /nfs/dbraw/zinc/04/67/12/641046712.db2.gz PZJGSODRRLTHTN-LJQANCHMSA-N 2 2 313.445 2.273 20 30 DEEDLP C=CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000898460832 641668019 /nfs/dbraw/zinc/66/80/19/641668019.db2.gz UGHIEXOLEPYQLB-UHFFFAOYSA-N 2 2 304.434 2.452 20 30 DEEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccnc(F)c3)cc2)CC1 ZINC000781128645 642716385 /nfs/dbraw/zinc/71/63/85/642716385.db2.gz ZJTCXHZBANCHHM-UHFFFAOYSA-N 2 2 313.380 2.419 20 30 DEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902947070 643201612 /nfs/dbraw/zinc/20/16/12/643201612.db2.gz DCOUXMWLECYINP-AWEZNQCLSA-N 2 2 319.430 2.124 20 30 DEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000817919894 647382104 /nfs/dbraw/zinc/38/21/04/647382104.db2.gz WIFOEUWXCLYWBV-BHYGNILZSA-N 2 2 317.433 2.224 20 30 DEEDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CCC[NH2+]1 ZINC000817973005 647397618 /nfs/dbraw/zinc/39/76/18/647397618.db2.gz BALOJDMAAZAOJJ-WMLDXEAASA-N 2 2 303.406 2.008 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000817974623 647398079 /nfs/dbraw/zinc/39/80/79/647398079.db2.gz MXBJQRVOXCONPR-CRAIPNDOSA-N 2 2 302.418 2.118 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993479658 647676672 /nfs/dbraw/zinc/67/66/72/647676672.db2.gz AXUUWKGEWMAORT-UKRRQHHQSA-N 2 2 310.401 2.169 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993479658 647676673 /nfs/dbraw/zinc/67/66/73/647676673.db2.gz AXUUWKGEWMAORT-UKRRQHHQSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220434 649024727 /nfs/dbraw/zinc/02/47/27/649024727.db2.gz DKKCWFPZIMRLPJ-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220434 649024729 /nfs/dbraw/zinc/02/47/29/649024729.db2.gz DKKCWFPZIMRLPJ-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=CC[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844701990 651157306 /nfs/dbraw/zinc/15/73/06/651157306.db2.gz QCWWAAPOEBWYOE-ROUUACIJSA-N 2 2 313.445 2.042 20 30 DEEDLP C=CC[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844701990 651157309 /nfs/dbraw/zinc/15/73/09/651157309.db2.gz QCWWAAPOEBWYOE-ROUUACIJSA-N 2 2 313.445 2.042 20 30 DEEDLP C=CC[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844701990 651157311 /nfs/dbraw/zinc/15/73/11/651157311.db2.gz QCWWAAPOEBWYOE-ROUUACIJSA-N 2 2 313.445 2.042 20 30 DEEDLP C=CC[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844701990 651157312 /nfs/dbraw/zinc/15/73/12/651157312.db2.gz QCWWAAPOEBWYOE-ROUUACIJSA-N 2 2 313.445 2.042 20 30 DEEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCCCCC2)C[C@@H](C)O1 ZINC000305063856 685269296 /nfs/dbraw/zinc/26/92/96/685269296.db2.gz MECWKAWFRKDZRC-HUUCEWRRSA-N 2 2 310.486 2.065 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234078 693894060 /nfs/dbraw/zinc/89/40/60/693894060.db2.gz WUNXBAAWLXOGFY-SFHVURJKSA-N 2 2 316.449 2.151 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234078 693894065 /nfs/dbraw/zinc/89/40/65/693894065.db2.gz WUNXBAAWLXOGFY-SFHVURJKSA-N 2 2 316.449 2.151 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)c1 ZINC000303777830 685234200 /nfs/dbraw/zinc/23/42/00/685234200.db2.gz IZVUSYHEFARJSR-INIZCTEOSA-N 2 2 304.438 2.099 20 30 DEEDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1O ZINC000866261909 687513272 /nfs/dbraw/zinc/51/32/72/687513272.db2.gz AUIGFABKCUDJCM-GDBMZVCRSA-N 2 2 317.433 2.151 20 30 DEEDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1O ZINC000866261909 687513278 /nfs/dbraw/zinc/51/32/78/687513278.db2.gz AUIGFABKCUDJCM-GDBMZVCRSA-N 2 2 317.433 2.151 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC000866362448 687547980 /nfs/dbraw/zinc/54/79/80/687547980.db2.gz FFIJQMQYJABENB-MRXNPFEDSA-N 2 2 302.418 2.454 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC000866362448 687547987 /nfs/dbraw/zinc/54/79/87/687547987.db2.gz FFIJQMQYJABENB-MRXNPFEDSA-N 2 2 302.418 2.454 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001019598357 688378974 /nfs/dbraw/zinc/37/89/74/688378974.db2.gz OWIMVGQFMMWZEY-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033871064 689645220 /nfs/dbraw/zinc/64/52/20/689645220.db2.gz BMNOFZHYSZMBPJ-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033871064 689645222 /nfs/dbraw/zinc/64/52/22/689645222.db2.gz BMNOFZHYSZMBPJ-HNNXBMFYSA-N 2 2 310.401 2.123 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(=C)C)C1 ZINC001034249477 689780631 /nfs/dbraw/zinc/78/06/31/689780631.db2.gz JZICQOKNHOLEHF-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(=C)C)C1 ZINC001034249477 689780633 /nfs/dbraw/zinc/78/06/33/689780633.db2.gz JZICQOKNHOLEHF-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(=C)C)C1 ZINC001034249477 689780636 /nfs/dbraw/zinc/78/06/36/689780636.db2.gz JZICQOKNHOLEHF-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(=C)C)C1 ZINC001034249477 689780640 /nfs/dbraw/zinc/78/06/40/689780640.db2.gz JZICQOKNHOLEHF-ROUUACIJSA-N 2 2 317.477 2.021 20 30 DEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181005 690051731 /nfs/dbraw/zinc/05/17/31/690051731.db2.gz LXLLAQUXUWHQSU-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181005 690051734 /nfs/dbraw/zinc/05/17/34/690051734.db2.gz LXLLAQUXUWHQSU-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001036085506 690256508 /nfs/dbraw/zinc/25/65/08/690256508.db2.gz VWDYFTDHLRJZSE-GDBMZVCRSA-N 2 2 317.433 2.035 20 30 DEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036750277 690458577 /nfs/dbraw/zinc/45/85/77/690458577.db2.gz KQXGSMBDWLXDRT-KSSFIOAISA-N 2 2 322.412 2.123 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036750277 690458581 /nfs/dbraw/zinc/45/85/81/690458581.db2.gz KQXGSMBDWLXDRT-KSSFIOAISA-N 2 2 322.412 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C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040236449 691218497 /nfs/dbraw/zinc/21/84/97/691218497.db2.gz NCKXWUVELNATRD-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040236449 691218499 /nfs/dbraw/zinc/21/84/99/691218499.db2.gz NCKXWUVELNATRD-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040236449 691218501 /nfs/dbraw/zinc/21/85/01/691218501.db2.gz NCKXWUVELNATRD-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001044167833 691782876 /nfs/dbraw/zinc/78/28/76/691782876.db2.gz AMTWYWTXLIBTBR-KRWDZBQOSA-N 2 2 307.482 2.360 20 30 DEEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001044167833 691782878 /nfs/dbraw/zinc/78/28/78/691782878.db2.gz AMTWYWTXLIBTBR-KRWDZBQOSA-N 2 2 307.482 2.360 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044581965 691853647 /nfs/dbraw/zinc/85/36/47/691853647.db2.gz VROUMKDQKZKHJZ-STQMWFEESA-N 2 2 310.829 2.064 20 30 DEEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512578 692208985 /nfs/dbraw/zinc/20/89/85/692208985.db2.gz HFJWIDGERZQCEV-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512578 692208986 /nfs/dbraw/zinc/20/89/86/692208986.db2.gz HFJWIDGERZQCEV-IBGZPJMESA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728174 692978536 /nfs/dbraw/zinc/97/85/36/692978536.db2.gz NPGDLTCTXNDTOQ-RRFJBIMHSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049728174 692978538 /nfs/dbraw/zinc/97/85/38/692978538.db2.gz NPGDLTCTXNDTOQ-RRFJBIMHSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050160622 693126058 /nfs/dbraw/zinc/12/60/58/693126058.db2.gz LGZVKGGUZYOYHS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050160622 693126063 /nfs/dbraw/zinc/12/60/63/693126063.db2.gz LGZVKGGUZYOYHS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050160622 693126068 /nfs/dbraw/zinc/12/60/68/693126068.db2.gz LGZVKGGUZYOYHS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050160622 693126069 /nfs/dbraw/zinc/12/60/69/693126069.db2.gz LGZVKGGUZYOYHS-YQQAZPJKSA-N 2 2 316.449 2.087 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381563 693519870 /nfs/dbraw/zinc/51/98/70/693519870.db2.gz UARVNPQJWKTZGL-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052381563 693519873 /nfs/dbraw/zinc/51/98/73/693519873.db2.gz UARVNPQJWKTZGL-INIZCTEOSA-N 2 2 312.417 2.413 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052461364 693539699 /nfs/dbraw/zinc/53/96/99/693539699.db2.gz OZSTYIMVQZRSGA-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052461364 693539701 /nfs/dbraw/zinc/53/97/01/693539701.db2.gz OZSTYIMVQZRSGA-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052461364 693539702 /nfs/dbraw/zinc/53/97/02/693539702.db2.gz OZSTYIMVQZRSGA-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052461364 693539705 /nfs/dbraw/zinc/53/97/05/693539705.db2.gz OZSTYIMVQZRSGA-BZUAXINKSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001332146115 1149825207 /nfs/dbraw/zinc/82/52/07/1149825207.db2.gz LMWFZPBRTYTBMI-OWCLPIDISA-N 2 2 316.449 2.135 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001332259161 1149840919 /nfs/dbraw/zinc/84/09/19/1149840919.db2.gz DORDKKBWCKTLTN-RDJZCZTQSA-N 2 2 324.428 2.154 20 30 DEEDLP Cn1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001414100006 1151709742 /nfs/dbraw/zinc/70/97/42/1151709742.db2.gz HXVRFHFARWFPHD-UHFFFAOYSA-N 2 2 323.444 2.088 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001390384735 1155690537 /nfs/dbraw/zinc/69/05/37/1155690537.db2.gz ODPJYVGHWCRWLZ-NSHDSACASA-N 2 2 306.797 2.103 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001372629721 1156618033 /nfs/dbraw/zinc/61/80/33/1156618033.db2.gz TXXQPDNTUOKYHC-AWEZNQCLSA-N 2 2 324.856 2.117 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001372629721 1156618041 /nfs/dbraw/zinc/61/80/41/1156618041.db2.gz TXXQPDNTUOKYHC-AWEZNQCLSA-N 2 2 324.856 2.117 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001393901876 1158056085 /nfs/dbraw/zinc/05/60/85/1158056085.db2.gz ITRYPFWJTXSZKR-UHFFFAOYSA-N 2 2 324.856 2.164 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001376615680 1159601479 /nfs/dbraw/zinc/60/14/79/1159601479.db2.gz XGOVDNRHDVFDQB-OAHLLOKOSA-N 2 2 324.856 2.076 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001418169869 1167458324 /nfs/dbraw/zinc/45/83/24/1167458324.db2.gz DFLQQOJDGBMADY-LSDHHAIUSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001418169869 1167458327 /nfs/dbraw/zinc/45/83/27/1167458327.db2.gz DFLQQOJDGBMADY-LSDHHAIUSA-N 2 2 324.856 2.161 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001439382452 1181061671 /nfs/dbraw/zinc/06/16/71/1181061671.db2.gz CWAZJDXYPXAMJM-ZDUSSCGKSA-N 2 2 312.845 2.161 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001439382452 1181061677 /nfs/dbraw/zinc/06/16/77/1181061677.db2.gz CWAZJDXYPXAMJM-ZDUSSCGKSA-N 2 2 312.845 2.161 20 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777015992 /nfs/dbraw/zinc/01/59/92/777015992.db2.gz ONFDAJXLTOCYHR-OAHLLOKOSA-N 2 2 318.465 2.431 20 30 DEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422411 777015994 /nfs/dbraw/zinc/01/59/94/777015994.db2.gz ONFDAJXLTOCYHR-OAHLLOKOSA-N 2 2 318.465 2.431 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088656964 780695553 /nfs/dbraw/zinc/69/55/53/780695553.db2.gz MKNMAEFRTSGIBP-CABCVRRESA-N 2 2 304.438 2.082 20 30 DEEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101063823 781003940 /nfs/dbraw/zinc/00/39/40/781003940.db2.gz PRVHZNZAHZEVLG-UHFFFAOYSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000948474555 783479448 /nfs/dbraw/zinc/47/94/48/783479448.db2.gz WARNYIQYMBGVDY-INIZCTEOSA-N 2 2 317.433 2.132 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000948474555 783479461 /nfs/dbraw/zinc/47/94/61/783479461.db2.gz WARNYIQYMBGVDY-INIZCTEOSA-N 2 2 317.433 2.132 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966106159 783564640 /nfs/dbraw/zinc/56/46/40/783564640.db2.gz SZQXDTGJIDDNEU-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966106159 783564642 /nfs/dbraw/zinc/56/46/42/783564642.db2.gz SZQXDTGJIDDNEU-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915665 783820108 /nfs/dbraw/zinc/82/01/08/783820108.db2.gz QTPIKDXBTNWKJZ-CXAGYDPISA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915665 783820115 /nfs/dbraw/zinc/82/01/15/783820115.db2.gz QTPIKDXBTNWKJZ-CXAGYDPISA-N 2 2 310.401 2.026 20 30 DEEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735420 785515367 /nfs/dbraw/zinc/51/53/67/785515367.db2.gz CMYLQYGMZSAUMJ-ULQDDVLXSA-N 2 2 316.449 2.209 20 30 DEEDLP 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C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574605 794149488 /nfs/dbraw/zinc/14/94/88/794149488.db2.gz ZCGFMOQLYHIVLU-OWCLPIDISA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351964 794411786 /nfs/dbraw/zinc/41/17/86/794411786.db2.gz XLDGYUWTQCQOII-CQSZACIVSA-N 2 2 306.454 2.491 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111950886 794532716 /nfs/dbraw/zinc/53/27/16/794532716.db2.gz GVNKDQHFKAJHJQ-HOCLYGCPSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111950886 794532721 /nfs/dbraw/zinc/53/27/21/794532721.db2.gz GVNKDQHFKAJHJQ-HOCLYGCPSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111950886 794532732 /nfs/dbraw/zinc/53/27/32/794532732.db2.gz GVNKDQHFKAJHJQ-HOCLYGCPSA-N 2 2 313.873 2.051 20 30 DEEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC001120588808 795492563 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C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000950615103 1081378550 /nfs/dbraw/zinc/37/85/50/1081378550.db2.gz MEOMHDCLJLHKAX-RDJZCZTQSA-N 2 2 305.466 2.112 20 30 DEEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001671763164 1081537722 /nfs/dbraw/zinc/53/77/22/1081537722.db2.gz KXFMIZVLAFPDSP-IBGZPJMESA-N 2 2 313.445 2.472 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001672328559 1081583317 /nfs/dbraw/zinc/58/33/17/1081583317.db2.gz OYHIVOQMSKCJOG-HOTGVXAUSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001482475216 1081959228 /nfs/dbraw/zinc/95/92/28/1081959228.db2.gz WCCFNZJTNDGASA-HUUCEWRRSA-N 2 2 317.433 2.035 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001271654947 1082101690 /nfs/dbraw/zinc/10/16/90/1082101690.db2.gz JBGHIMASBBEDFW-SJORKVTESA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001266523966 1082106886 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ZINC001281949836 1144922899 /nfs/dbraw/zinc/92/28/99/1144922899.db2.gz OZQGYQQYTVYDCL-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001281949836 1144922900 /nfs/dbraw/zinc/92/29/00/1144922900.db2.gz OZQGYQQYTVYDCL-MRXNPFEDSA-N 2 2 318.465 2.242 20 30 DEEDLP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001282302743 1145031938 /nfs/dbraw/zinc/03/19/38/1145031938.db2.gz CRMNGXBGPYOWGY-UHFFFAOYSA-N 2 2 312.417 2.045 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282666502 1145118436 /nfs/dbraw/zinc/11/84/36/1145118436.db2.gz MHXHCRKIGLAYDC-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282666502 1145118458 /nfs/dbraw/zinc/11/84/58/1145118458.db2.gz MHXHCRKIGLAYDC-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282666502 1145118475 /nfs/dbraw/zinc/11/84/75/1145118475.db2.gz MHXHCRKIGLAYDC-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282666502 1145118498 /nfs/dbraw/zinc/11/84/98/1145118498.db2.gz MHXHCRKIGLAYDC-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001283051226 1145248964 /nfs/dbraw/zinc/24/89/64/1145248964.db2.gz CQMKJMOQYBAKJN-BZUAXINKSA-N 2 2 304.438 2.141 20 30 DEEDLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001364563742 1145345362 /nfs/dbraw/zinc/34/53/62/1145345362.db2.gz LHHZGEHRIPWUBJ-UHFFFAOYSA-N 2 2 323.400 2.110 20 30 DEEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001284780189 1145910554 /nfs/dbraw/zinc/91/05/54/1145910554.db2.gz KXFHEIBLIZENBB-UHFFFAOYSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001367210708 1147664581 /nfs/dbraw/zinc/66/45/81/1147664581.db2.gz PGGBNAMGJKURQZ-UHFFFAOYSA-N 2 2 324.856 2.244 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317149580 1147666954 /nfs/dbraw/zinc/66/69/54/1147666954.db2.gz JQDIAAUPPJMXSY-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317149580 1147666955 /nfs/dbraw/zinc/66/69/55/1147666955.db2.gz JQDIAAUPPJMXSY-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317163128 1147668684 /nfs/dbraw/zinc/66/86/84/1147668684.db2.gz RNENCICPMZFHKL-OAHLLOKOSA-N 2 2 304.438 2.055 20 30 DEEDLP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001325430184 1147907066 /nfs/dbraw/zinc/90/70/66/1147907066.db2.gz WNOKIQSTXYWXAQ-CABCVRRESA-N 2 2 312.417 2.351 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001326521758 1148129733 /nfs/dbraw/zinc/12/97/33/1148129733.db2.gz PXTABWLUPAVIGM-SHTZXODSSA-N 2 2 304.438 2.183 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001326521758 1148129743 /nfs/dbraw/zinc/12/97/43/1148129743.db2.gz PXTABWLUPAVIGM-SHTZXODSSA-N 2 2 304.438 2.183 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959989 355395635 /nfs/dbraw/zinc/39/56/35/355395635.db2.gz YHSBJXLYRANCAA-HIFRSBDPSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959989 355395637 /nfs/dbraw/zinc/39/56/37/355395637.db2.gz YHSBJXLYRANCAA-HIFRSBDPSA-N 2 2 323.400 2.488 20 30 DEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000581998071 357281997 /nfs/dbraw/zinc/28/19/97/357281997.db2.gz SIDDXUUMXMZKTC-ZWKOTPCHSA-N 2 2 318.461 2.229 20 30 DEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000581998071 357281999 /nfs/dbraw/zinc/28/19/99/357281999.db2.gz SIDDXUUMXMZKTC-ZWKOTPCHSA-N 2 2 318.461 2.229 20 30 DEEDLP Cc1cc(CO)cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000590569340 357558717 /nfs/dbraw/zinc/55/87/17/357558717.db2.gz QFRUJEBEYXJQRI-UHFFFAOYSA-N 2 2 322.412 2.076 20 30 DEEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724039 359306245 /nfs/dbraw/zinc/30/62/45/359306245.db2.gz LHTMLLFYQJFKQB-NVXWUHKLSA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724039 359306248 /nfs/dbraw/zinc/30/62/48/359306248.db2.gz LHTMLLFYQJFKQB-NVXWUHKLSA-N 2 2 303.450 2.397 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512231 360411438 /nfs/dbraw/zinc/41/14/38/360411438.db2.gz YAQNHAMWRFGJCC-SJORKVTESA-N 2 2 323.481 2.032 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512231 360411440 /nfs/dbraw/zinc/41/14/40/360411440.db2.gz YAQNHAMWRFGJCC-SJORKVTESA-N 2 2 323.481 2.032 20 30 DEEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000609386142 361308683 /nfs/dbraw/zinc/30/86/83/361308683.db2.gz LRSZOZVJTMVALD-INIZCTEOSA-N 2 2 314.433 2.349 20 30 DEEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000609386142 361308686 /nfs/dbraw/zinc/30/86/86/361308686.db2.gz LRSZOZVJTMVALD-INIZCTEOSA-N 2 2 314.433 2.349 20 30 DEEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000061758555 184186379 /nfs/dbraw/zinc/18/63/79/184186379.db2.gz NDTLMRJGRKFCFS-UHFFFAOYSA-N 2 2 321.490 2.290 20 30 DEEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000061758555 184186381 /nfs/dbraw/zinc/18/63/81/184186381.db2.gz NDTLMRJGRKFCFS-UHFFFAOYSA-N 2 2 321.490 2.290 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)C3CC3)CC2)cc1 ZINC000353848624 133006865 /nfs/dbraw/zinc/00/68/65/133006865.db2.gz IAIVCCLXFMNKIY-SFHVURJKSA-N 2 2 313.445 2.131 20 30 DEEDLP C=CC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000121289777 402025882 /nfs/dbraw/zinc/02/58/82/402025882.db2.gz IMDXNKHKUIBHIS-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000121289777 402025886 /nfs/dbraw/zinc/02/58/86/402025886.db2.gz IMDXNKHKUIBHIS-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000121289777 402025888 /nfs/dbraw/zinc/02/58/88/402025888.db2.gz IMDXNKHKUIBHIS-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000121289777 402025891 /nfs/dbraw/zinc/02/58/91/402025891.db2.gz IMDXNKHKUIBHIS-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccc1 ZINC000161482703 402389300 /nfs/dbraw/zinc/38/93/00/402389300.db2.gz KVYCHBXNZZZLEC-SFHVURJKSA-N 2 2 324.428 2.314 20 30 DEEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccc1 ZINC000161482703 402389304 /nfs/dbraw/zinc/38/93/04/402389304.db2.gz KVYCHBXNZZZLEC-SFHVURJKSA-N 2 2 324.428 2.314 20 30 DEEDLP Cc1cc[nH+]c(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000166367695 402484136 /nfs/dbraw/zinc/48/41/36/402484136.db2.gz MOZMBQFTKHTPPY-UHFFFAOYSA-N 2 2 322.412 2.463 20 30 DEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCc2ccccc21 ZINC000263260755 402751841 /nfs/dbraw/zinc/75/18/41/402751841.db2.gz SOQQPTCUSSUHIY-UHFFFAOYSA-N 2 2 309.417 2.358 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274861746 403095049 /nfs/dbraw/zinc/09/50/49/403095049.db2.gz UMEOHZOAUIXOKY-SOLBZPMBSA-N 2 2 315.461 2.177 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274861746 403095051 /nfs/dbraw/zinc/09/50/51/403095051.db2.gz UMEOHZOAUIXOKY-SOLBZPMBSA-N 2 2 315.461 2.177 20 30 DEEDLP C#CC[NH+]1CCC(c2nc(Cc3cn4ccccc4[nH+]3)no2)CC1 ZINC000277821760 403260688 /nfs/dbraw/zinc/26/06/88/403260688.db2.gz HPYUECSNWJZQAG-UHFFFAOYSA-N 2 2 321.384 2.121 20 30 DEEDLP CCCNC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287376482 403586225 /nfs/dbraw/zinc/58/62/25/403586225.db2.gz ZNCROGSMEYIAQE-INIZCTEOSA-N 2 2 306.454 2.391 20 30 DEEDLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341267437 403874974 /nfs/dbraw/zinc/87/49/74/403874974.db2.gz BXNCOJSPTKHYBN-CABCVRRESA-N 2 2 301.434 2.272 20 30 DEEDLP C=CCCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000356585672 404606298 /nfs/dbraw/zinc/60/62/98/404606298.db2.gz AVHIBSRTUNXPOM-MRXNPFEDSA-N 2 2 319.493 2.360 20 30 DEEDLP C=CCCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000356585672 404606301 /nfs/dbraw/zinc/60/63/01/404606301.db2.gz AVHIBSRTUNXPOM-MRXNPFEDSA-N 2 2 319.493 2.360 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)n2c1 ZINC000449552729 405610788 /nfs/dbraw/zinc/61/07/88/405610788.db2.gz JWEOLLKWAQOLCD-INMHGKMJSA-N 2 2 310.401 2.189 20 30 DEEDLP N#Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)n2c1 ZINC000449552729 405610796 /nfs/dbraw/zinc/61/07/96/405610796.db2.gz JWEOLLKWAQOLCD-INMHGKMJSA-N 2 2 310.401 2.189 20 30 DEEDLP C=CCC[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449699439 405699953 /nfs/dbraw/zinc/69/99/53/405699953.db2.gz QRNWWSGZANYJSY-ZDUSSCGKSA-N 2 2 309.479 2.326 20 30 DEEDLP C=CCC[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449699439 405699956 /nfs/dbraw/zinc/69/99/56/405699956.db2.gz QRNWWSGZANYJSY-ZDUSSCGKSA-N 2 2 309.479 2.326 20 30 DEEDLP C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000487418006 406229219 /nfs/dbraw/zinc/22/92/19/406229219.db2.gz ZBGDEKYYVDPFRP-UHFFFAOYSA-N 2 2 315.461 2.376 20 30 DEEDLP C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000487418006 406229225 /nfs/dbraw/zinc/22/92/25/406229225.db2.gz ZBGDEKYYVDPFRP-UHFFFAOYSA-N 2 2 315.461 2.376 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC(CC)([NH+]3CCCC3)CC2)C1=O ZINC000639986758 406346105 /nfs/dbraw/zinc/34/61/05/406346105.db2.gz QZNQZXVQOABEOB-INIZCTEOSA-N 2 2 305.466 2.114 20 30 DEEDLP Clc1ccc(C#CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000575240939 406790304 /nfs/dbraw/zinc/79/03/04/406790304.db2.gz NRYXXEZBCAZWIZ-UHFFFAOYSA-N 2 2 300.793 2.237 20 30 DEEDLP C=CCCOCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000644609168 407152010 /nfs/dbraw/zinc/15/20/10/407152010.db2.gz VLFDGHROYSCAOF-INIZCTEOSA-N 2 2 317.433 2.196 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000291268318 222272312 /nfs/dbraw/zinc/27/23/12/222272312.db2.gz SWDXRAGCNLFTHE-UHFFFAOYSA-N 2 2 319.449 2.250 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834851321 649854409 /nfs/dbraw/zinc/85/44/09/649854409.db2.gz WTUDACIWWOKRLX-AEFFLSMTSA-N 2 2 316.445 2.196 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000834851321 649854410 /nfs/dbraw/zinc/85/44/10/649854410.db2.gz WTUDACIWWOKRLX-AEFFLSMTSA-N 2 2 316.445 2.196 20 30 DEEDLP C=CCCn1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000657314203 425301633 /nfs/dbraw/zinc/30/16/33/425301633.db2.gz YETTURHUPXCHCE-HZPDHXFCSA-N 2 2 305.470 2.312 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000569902126 332690994 /nfs/dbraw/zinc/69/09/94/332690994.db2.gz PMSYEDQIBKZFPJ-HIFRSBDPSA-N 2 2 317.437 2.229 20 30 DEEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000342023053 526708272 /nfs/dbraw/zinc/70/82/72/526708272.db2.gz ASSFQFMEUBXQAU-JKSUJKDBSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000342023053 526708274 /nfs/dbraw/zinc/70/82/74/526708274.db2.gz ASSFQFMEUBXQAU-JKSUJKDBSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000368602290 527425122 /nfs/dbraw/zinc/42/51/22/527425122.db2.gz JAQMZRFCAJZKNV-MGNMYUMUSA-N 2 2 307.482 2.404 20 30 DEEDLP C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000368602290 527425128 /nfs/dbraw/zinc/42/51/28/527425128.db2.gz JAQMZRFCAJZKNV-MGNMYUMUSA-N 2 2 307.482 2.404 20 30 DEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263251523 528806175 /nfs/dbraw/zinc/80/61/75/528806175.db2.gz PDBGUDPQAQDEEI-UHFFFAOYSA-N 2 2 308.495 2.460 20 30 DEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263251523 528806181 /nfs/dbraw/zinc/80/61/81/528806181.db2.gz PDBGUDPQAQDEEI-UHFFFAOYSA-N 2 2 308.495 2.460 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238730 625297805 /nfs/dbraw/zinc/29/78/05/625297805.db2.gz VLKDUMHNGVMBIR-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238730 625297810 /nfs/dbraw/zinc/29/78/10/625297810.db2.gz VLKDUMHNGVMBIR-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238730 625297820 /nfs/dbraw/zinc/29/78/20/625297820.db2.gz VLKDUMHNGVMBIR-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238730 625297829 /nfs/dbraw/zinc/29/78/29/625297829.db2.gz VLKDUMHNGVMBIR-IRXDYDNUSA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609586 625354172 /nfs/dbraw/zinc/35/41/72/625354172.db2.gz BTSPWDWXUDDGBV-OAHLLOKOSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969659791 622871763 /nfs/dbraw/zinc/87/17/63/622871763.db2.gz KLCIWJPUQNSXHO-DZGCQCFKSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969659791 622871768 /nfs/dbraw/zinc/87/17/68/622871768.db2.gz KLCIWJPUQNSXHO-DZGCQCFKSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970929628 623799388 /nfs/dbraw/zinc/79/93/88/623799388.db2.gz RMSFLNOVNUKQPI-UKRRQHHQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970929628 623799392 /nfs/dbraw/zinc/79/93/92/623799392.db2.gz RMSFLNOVNUKQPI-UKRRQHHQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970929626 623799612 /nfs/dbraw/zinc/79/96/12/623799612.db2.gz RMSFLNOVNUKQPI-DZGCQCFKSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970929626 623799615 /nfs/dbraw/zinc/79/96/15/623799615.db2.gz RMSFLNOVNUKQPI-DZGCQCFKSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021679936 623948444 /nfs/dbraw/zinc/94/84/44/623948444.db2.gz VCCIGISDDZKSSW-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021679936 623948451 /nfs/dbraw/zinc/94/84/51/623948451.db2.gz VCCIGISDDZKSSW-DOTOQJQBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700266 623984348 /nfs/dbraw/zinc/98/43/48/623984348.db2.gz PBSXJEQMNOQZJO-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700266 623984352 /nfs/dbraw/zinc/98/43/52/623984352.db2.gz PBSXJEQMNOQZJO-JKSUJKDBSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000971536285 624182118 /nfs/dbraw/zinc/18/21/18/624182118.db2.gz AUMAOFCNAXUWBZ-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000971536285 624182119 /nfs/dbraw/zinc/18/21/19/624182119.db2.gz AUMAOFCNAXUWBZ-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333899 624932694 /nfs/dbraw/zinc/93/26/94/624932694.db2.gz ZDEZTTGGXBOGEL-AWEZNQCLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333899 624932696 /nfs/dbraw/zinc/93/26/96/624932696.db2.gz ZDEZTTGGXBOGEL-AWEZNQCLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972333899 624932697 /nfs/dbraw/zinc/93/26/97/624932697.db2.gz ZDEZTTGGXBOGEL-AWEZNQCLSA-N 2 2 313.873 2.004 20 30 DEEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510325 625828554 /nfs/dbraw/zinc/82/85/54/625828554.db2.gz JLIQQGQNUVZMKS-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510325 625828555 /nfs/dbraw/zinc/82/85/55/625828555.db2.gz JLIQQGQNUVZMKS-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510324 625828818 /nfs/dbraw/zinc/82/88/18/625828818.db2.gz JLIQQGQNUVZMKS-HNNXBMFYSA-N 2 2 310.401 2.171 20 30 DEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510324 625828824 /nfs/dbraw/zinc/82/88/24/625828824.db2.gz JLIQQGQNUVZMKS-HNNXBMFYSA-N 2 2 310.401 2.171 20 30 DEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652578 625952630 /nfs/dbraw/zinc/95/26/30/625952630.db2.gz PYZDOHPIHQZSEK-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652578 625952635 /nfs/dbraw/zinc/95/26/35/625952635.db2.gz PYZDOHPIHQZSEK-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CC[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001012511 635380055 /nfs/dbraw/zinc/38/00/55/635380055.db2.gz NJSTZSBWKLRCBY-UHFFFAOYSA-N 2 2 322.412 2.420 20 30 DEEDLP C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001012511 635380061 /nfs/dbraw/zinc/38/00/61/635380061.db2.gz NJSTZSBWKLRCBY-UHFFFAOYSA-N 2 2 322.412 2.420 20 30 DEEDLP C#CCC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001005395689 636731400 /nfs/dbraw/zinc/73/14/00/636731400.db2.gz JJMWZIHWZWDRNH-UHFFFAOYSA-N 2 2 324.428 2.202 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797685 636744688 /nfs/dbraw/zinc/74/46/88/636744688.db2.gz QCZBZPQXYOBHNN-LSDHHAIUSA-N 2 2 316.449 2.234 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797685 636744692 /nfs/dbraw/zinc/74/46/92/636744692.db2.gz QCZBZPQXYOBHNN-LSDHHAIUSA-N 2 2 316.449 2.234 20 30 DEEDLP CCCCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000776747256 642202953 /nfs/dbraw/zinc/20/29/53/642202953.db2.gz RKOVEBSPAKVCEU-UHFFFAOYSA-N 2 2 311.514 2.343 20 30 DEEDLP CCCCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000776747256 642202958 /nfs/dbraw/zinc/20/29/58/642202958.db2.gz RKOVEBSPAKVCEU-UHFFFAOYSA-N 2 2 311.514 2.343 20 30 DEEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778187114 642350177 /nfs/dbraw/zinc/35/01/77/642350177.db2.gz IIARBVAAPGALTN-MRXNPFEDSA-N 2 2 309.417 2.338 20 30 DEEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000905549450 643959037 /nfs/dbraw/zinc/95/90/37/643959037.db2.gz GESRALMMTSVDJV-MOPGFXCFSA-N 2 2 324.428 2.269 20 30 DEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC000992738902 647207897 /nfs/dbraw/zinc/20/78/97/647207897.db2.gz HRCZRCJCXPKNEO-JLJPHGGASA-N 2 2 322.412 2.026 20 30 DEEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000817982557 647399984 /nfs/dbraw/zinc/39/99/84/647399984.db2.gz FQACDHBROHMYCO-CJNGLKHVSA-N 2 2 310.825 2.457 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940819602 648948417 /nfs/dbraw/zinc/94/84/17/648948417.db2.gz GQNXHFRMGAWZDG-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940819602 648948419 /nfs/dbraw/zinc/94/84/19/648948419.db2.gz GQNXHFRMGAWZDG-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940819602 648948421 /nfs/dbraw/zinc/94/84/21/648948421.db2.gz GQNXHFRMGAWZDG-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940819602 648948424 /nfs/dbraw/zinc/94/84/24/648948424.db2.gz GQNXHFRMGAWZDG-IIAWOOMASA-N 2 2 316.449 2.306 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181934 649176726 /nfs/dbraw/zinc/17/67/26/649176726.db2.gz VNMMKQAJQKSKDG-GOEBONIOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181934 649176729 /nfs/dbraw/zinc/17/67/29/649176729.db2.gz VNMMKQAJQKSKDG-GOEBONIOSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942181933 649176733 /nfs/dbraw/zinc/17/67/33/649176733.db2.gz VNMMKQAJQKSKDG-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942181933 649176735 /nfs/dbraw/zinc/17/67/35/649176735.db2.gz VNMMKQAJQKSKDG-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181935 649176797 /nfs/dbraw/zinc/17/67/97/649176797.db2.gz VNMMKQAJQKSKDG-HOCLYGCPSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181935 649176799 /nfs/dbraw/zinc/17/67/99/649176799.db2.gz VNMMKQAJQKSKDG-HOCLYGCPSA-N 2 2 318.465 2.329 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184406 649177416 /nfs/dbraw/zinc/17/74/16/649177416.db2.gz SHKYCAQJLBGMKF-HIFRSBDPSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184406 649177418 /nfs/dbraw/zinc/17/74/18/649177418.db2.gz SHKYCAQJLBGMKF-HIFRSBDPSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@H+](C)CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000854664188 651529658 /nfs/dbraw/zinc/52/96/58/651529658.db2.gz PKOOPFMYGSXJPT-KRWDZBQOSA-N 2 2 324.428 2.003 20 30 DEEDLP C#CC[N@@H+](C)CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000854664188 651529662 /nfs/dbraw/zinc/52/96/62/651529662.db2.gz PKOOPFMYGSXJPT-KRWDZBQOSA-N 2 2 324.428 2.003 20 30 DEEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735862 652221252 /nfs/dbraw/zinc/22/12/52/652221252.db2.gz JFRVTZIEPCAOES-MJGOQNOKSA-N 2 2 300.446 2.310 20 30 DEEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735862 652221253 /nfs/dbraw/zinc/22/12/53/652221253.db2.gz JFRVTZIEPCAOES-MJGOQNOKSA-N 2 2 300.446 2.310 20 30 DEEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735862 652221261 /nfs/dbraw/zinc/22/12/61/652221261.db2.gz JFRVTZIEPCAOES-MJGOQNOKSA-N 2 2 300.446 2.310 20 30 DEEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc21 ZINC000851735862 652221266 /nfs/dbraw/zinc/22/12/66/652221266.db2.gz JFRVTZIEPCAOES-MJGOQNOKSA-N 2 2 300.446 2.310 20 30 DEEDLP Cc1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc[nH+]1 ZINC000863158665 686439283 /nfs/dbraw/zinc/43/92/83/686439283.db2.gz LFCUNRGFDAXNIX-UHFFFAOYSA-N 2 2 302.403 2.156 20 30 DEEDLP C=C(Cl)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865471577 687224688 /nfs/dbraw/zinc/22/46/88/687224688.db2.gz OMETYUIZCBZDJD-UHFFFAOYSA-N 2 2 310.825 2.240 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618392 687925446 /nfs/dbraw/zinc/92/54/46/687925446.db2.gz RZLHUMDOJRJFMD-FGTMMUONSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618392 687925451 /nfs/dbraw/zinc/92/54/51/687925451.db2.gz RZLHUMDOJRJFMD-FGTMMUONSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618392 687925454 /nfs/dbraw/zinc/92/54/54/687925454.db2.gz RZLHUMDOJRJFMD-FGTMMUONSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618392 687925458 /nfs/dbraw/zinc/92/54/58/687925458.db2.gz RZLHUMDOJRJFMD-FGTMMUONSA-N 2 2 317.477 2.255 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018022312 688030715 /nfs/dbraw/zinc/03/07/15/688030715.db2.gz GPZGYUIKIBZEJB-IYBDPMFKSA-N 2 2 316.449 2.258 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018022312 688030722 /nfs/dbraw/zinc/03/07/22/688030722.db2.gz GPZGYUIKIBZEJB-IYBDPMFKSA-N 2 2 316.449 2.258 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312522 688107884 /nfs/dbraw/zinc/10/78/84/688107884.db2.gz FYHAIEILUVFMMC-KSZLIROESA-N 2 2 319.493 2.358 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312522 688107887 /nfs/dbraw/zinc/10/78/87/688107887.db2.gz FYHAIEILUVFMMC-KSZLIROESA-N 2 2 319.493 2.358 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001019203247 688299210 /nfs/dbraw/zinc/29/92/10/688299210.db2.gz LUUBPQLHFLHSDR-INIZCTEOSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033418375 689494925 /nfs/dbraw/zinc/49/49/25/689494925.db2.gz AFGBCWOIFLBOPS-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033418375 689494927 /nfs/dbraw/zinc/49/49/27/689494927.db2.gz AFGBCWOIFLBOPS-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033418375 689494929 /nfs/dbraw/zinc/49/49/29/689494929.db2.gz AFGBCWOIFLBOPS-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033418375 689494931 /nfs/dbraw/zinc/49/49/31/689494931.db2.gz AFGBCWOIFLBOPS-CQSZACIVSA-N 2 2 313.873 2.004 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033958160 689673798 /nfs/dbraw/zinc/67/37/98/689673798.db2.gz RMIPCAGBIVYMRM-ARFHVFGLSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033958160 689673803 /nfs/dbraw/zinc/67/38/03/689673803.db2.gz RMIPCAGBIVYMRM-ARFHVFGLSA-N 2 2 316.449 2.023 20 30 DEEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208496 689763266 /nfs/dbraw/zinc/76/32/66/689763266.db2.gz XYORIFLGXXZFQU-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208496 689763268 /nfs/dbraw/zinc/76/32/68/689763268.db2.gz XYORIFLGXXZFQU-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC001036238282 690298736 /nfs/dbraw/zinc/29/87/36/690298736.db2.gz CLKJPLNLCWIAML-YJBOKZPZSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771304 690468144 /nfs/dbraw/zinc/46/81/44/690468144.db2.gz DNHXDOVRVUWDNT-HOTGVXAUSA-N 2 2 324.428 2.447 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771304 690468146 /nfs/dbraw/zinc/46/81/46/690468146.db2.gz DNHXDOVRVUWDNT-HOTGVXAUSA-N 2 2 324.428 2.447 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880264052 690854992 /nfs/dbraw/zinc/85/49/92/690854992.db2.gz LKIUAYINZAQRRX-MRXNPFEDSA-N 2 2 316.449 2.017 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880264052 690854994 /nfs/dbraw/zinc/85/49/94/690854994.db2.gz LKIUAYINZAQRRX-MRXNPFEDSA-N 2 2 316.449 2.017 20 30 DEEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880569569 690929800 /nfs/dbraw/zinc/92/98/00/690929800.db2.gz HPEWGQJIGMIWFN-SJORKVTESA-N 2 2 310.401 2.269 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236843 691063831 /nfs/dbraw/zinc/06/38/31/691063831.db2.gz DKJPRWDIQIKSDI-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236843 691063836 /nfs/dbraw/zinc/06/38/36/691063836.db2.gz DKJPRWDIQIKSDI-CVEARBPZSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039239000 691064930 /nfs/dbraw/zinc/06/49/30/691064930.db2.gz PXOQPKQYGPHWAN-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039239000 691064931 /nfs/dbraw/zinc/06/49/31/691064931.db2.gz PXOQPKQYGPHWAN-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001044801800 691889427 /nfs/dbraw/zinc/88/94/27/691889427.db2.gz BYTONQPEXHNWNY-DOTOQJQBSA-N 2 2 322.412 2.088 20 30 DEEDLP C#CC[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001045514479 691991431 /nfs/dbraw/zinc/99/14/31/691991431.db2.gz MLCGJCHTQFBLLK-UHFFFAOYSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046388750 692174423 /nfs/dbraw/zinc/17/44/23/692174423.db2.gz WCJXCULUONWHFK-CPUCHLNUSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046388750 692174426 /nfs/dbraw/zinc/17/44/26/692174426.db2.gz WCJXCULUONWHFK-CPUCHLNUSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046388750 692174433 /nfs/dbraw/zinc/17/44/33/692174433.db2.gz WCJXCULUONWHFK-CPUCHLNUSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046388750 692174435 /nfs/dbraw/zinc/17/44/35/692174435.db2.gz WCJXCULUONWHFK-CPUCHLNUSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001048964101 692731503 /nfs/dbraw/zinc/73/15/03/692731503.db2.gz HCTBXSQGGAWUPY-CALCHBBNSA-N 2 2 322.412 2.062 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001048964101 692731504 /nfs/dbraw/zinc/73/15/04/692731504.db2.gz HCTBXSQGGAWUPY-CALCHBBNSA-N 2 2 322.412 2.062 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553495 692919706 /nfs/dbraw/zinc/91/97/06/692919706.db2.gz VLRZHFODOOBKPR-MSOLQXFVSA-N 2 2 322.412 2.265 20 30 DEEDLP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553495 692919707 /nfs/dbraw/zinc/91/97/07/692919707.db2.gz VLRZHFODOOBKPR-MSOLQXFVSA-N 2 2 322.412 2.265 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053043273 693676393 /nfs/dbraw/zinc/67/63/93/693676393.db2.gz GLWNBTCNLCBNDA-JKSUJKDBSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053043273 693676396 /nfs/dbraw/zinc/67/63/96/693676396.db2.gz GLWNBTCNLCBNDA-JKSUJKDBSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053049014 693677282 /nfs/dbraw/zinc/67/72/82/693677282.db2.gz ZZRANGQAAJVBIX-HOTGVXAUSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053049014 693677284 /nfs/dbraw/zinc/67/72/84/693677284.db2.gz ZZRANGQAAJVBIX-HOTGVXAUSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099749 693689538 /nfs/dbraw/zinc/68/95/38/693689538.db2.gz YMGYKQUWFCYIQW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099749 693689540 /nfs/dbraw/zinc/68/95/40/693689540.db2.gz YMGYKQUWFCYIQW-WBVHZDCISA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(CC(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001347376643 1151060751 /nfs/dbraw/zinc/06/07/51/1151060751.db2.gz QXELEADNXIKEIX-UHFFFAOYSA-N 2 2 302.422 2.374 20 30 DEEDLP C#CC[NH2+]CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001357365610 1152293163 /nfs/dbraw/zinc/29/31/63/1152293163.db2.gz AYSKMVJJAFDFJK-UHFFFAOYSA-N 2 2 308.385 2.048 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001390657537 1155829768 /nfs/dbraw/zinc/82/97/68/1155829768.db2.gz ICHCVWCARTYSLK-LBPRGKRZSA-N 2 2 320.824 2.493 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001372816849 1156801596 /nfs/dbraw/zinc/80/15/96/1156801596.db2.gz CZDLMGISQGFPES-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001372816849 1156801597 /nfs/dbraw/zinc/80/15/97/1156801597.db2.gz CZDLMGISQGFPES-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001372816849 1156801599 /nfs/dbraw/zinc/80/15/99/1156801599.db2.gz CZDLMGISQGFPES-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001372816849 1156801600 /nfs/dbraw/zinc/80/16/00/1156801600.db2.gz CZDLMGISQGFPES-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001372901785 1156818413 /nfs/dbraw/zinc/81/84/13/1156818413.db2.gz LCZONFHCHRMKAT-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001372901785 1156818416 /nfs/dbraw/zinc/81/84/16/1156818416.db2.gz LCZONFHCHRMKAT-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001372901785 1156818417 /nfs/dbraw/zinc/81/84/17/1156818417.db2.gz LCZONFHCHRMKAT-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001372901785 1156818419 /nfs/dbraw/zinc/81/84/19/1156818419.db2.gz LCZONFHCHRMKAT-OAHLLOKOSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001394800034 1158782710 /nfs/dbraw/zinc/78/27/10/1158782710.db2.gz BYUWZJZIBHFHHA-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001394800034 1158782698 /nfs/dbraw/zinc/78/26/98/1158782698.db2.gz BYUWZJZIBHFHHA-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001394800034 1158782703 /nfs/dbraw/zinc/78/27/03/1158782703.db2.gz BYUWZJZIBHFHHA-AWEZNQCLSA-N 2 2 301.862 2.002 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001406162759 1164486380 /nfs/dbraw/zinc/48/63/80/1164486380.db2.gz AOEDTMMPTBPNBF-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001406162759 1164486383 /nfs/dbraw/zinc/48/63/83/1164486383.db2.gz AOEDTMMPTBPNBF-OAHLLOKOSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001418095887 1167407375 /nfs/dbraw/zinc/40/73/75/1167407375.db2.gz VVQUJQGATKEGNQ-QLFBSQMISA-N 2 2 324.856 2.460 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001418874121 1168027245 /nfs/dbraw/zinc/02/72/45/1168027245.db2.gz LMRBYQNUWUROER-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001418874121 1168027249 /nfs/dbraw/zinc/02/72/49/1168027249.db2.gz LMRBYQNUWUROER-CQSZACIVSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001424746621 1173896122 /nfs/dbraw/zinc/89/61/22/1173896122.db2.gz WJMRLMGZOITVDI-IYXRBSQSSA-N 2 2 310.829 2.071 20 30 DEEDLP CN(c1cc(F)ccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001434435426 1178541867 /nfs/dbraw/zinc/54/18/67/1178541867.db2.gz CWAUTGHZJOPMOR-KRWDZBQOSA-N 2 2 316.424 2.302 20 30 DEEDLP CN(c1cc(F)ccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001434435426 1178541887 /nfs/dbraw/zinc/54/18/87/1178541887.db2.gz CWAUTGHZJOPMOR-KRWDZBQOSA-N 2 2 316.424 2.302 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001438772288 1180809421 /nfs/dbraw/zinc/80/94/21/1180809421.db2.gz LOVGQOBSTLRXEV-XHDPSFHLSA-N 2 2 324.856 2.230 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001441202343 1181892928 /nfs/dbraw/zinc/89/29/28/1181892928.db2.gz HWZNDRNVZCFHMJ-HNNXBMFYSA-N 2 2 318.808 2.413 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001441638450 1182105613 /nfs/dbraw/zinc/10/56/13/1182105613.db2.gz CZGUZUWKCJIIII-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001441638450 1182105616 /nfs/dbraw/zinc/10/56/16/1182105616.db2.gz CZGUZUWKCJIIII-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001441638450 1182105621 /nfs/dbraw/zinc/10/56/21/1182105621.db2.gz CZGUZUWKCJIIII-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001441638450 1182105627 /nfs/dbraw/zinc/10/56/27/1182105627.db2.gz CZGUZUWKCJIIII-GJZGRUSLSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001443064138 1182837533 /nfs/dbraw/zinc/83/75/33/1182837533.db2.gz VZHPGMKNSPLFJB-UHFFFAOYSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001443064138 1182837537 /nfs/dbraw/zinc/83/75/37/1182837537.db2.gz VZHPGMKNSPLFJB-UHFFFAOYSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443234767 1182889176 /nfs/dbraw/zinc/88/91/76/1182889176.db2.gz AYGBMRXKXNLWGQ-GJZGRUSLSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443234767 1182889179 /nfs/dbraw/zinc/88/91/79/1182889179.db2.gz AYGBMRXKXNLWGQ-GJZGRUSLSA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001444072704 1183278893 /nfs/dbraw/zinc/27/88/93/1183278893.db2.gz PWAYBROVPMOFJX-UHFFFAOYSA-N 2 2 310.829 2.113 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001445821398 1184072356 /nfs/dbraw/zinc/07/23/56/1184072356.db2.gz DDKYGMXMWMLCEN-AWEZNQCLSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001445821398 1184072362 /nfs/dbraw/zinc/07/23/62/1184072362.db2.gz DDKYGMXMWMLCEN-AWEZNQCLSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001446425295 1184344144 /nfs/dbraw/zinc/34/41/44/1184344144.db2.gz WRWHHPOIKJVXGI-CABCVRRESA-N 2 2 324.856 2.385 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001332146110 1149825293 /nfs/dbraw/zinc/82/52/93/1149825293.db2.gz LMWFZPBRTYTBMI-ARFHVFGLSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655711 782833170 /nfs/dbraw/zinc/83/31/70/782833170.db2.gz ZXDNZWJNQJTZRM-RBSFLKMASA-N 2 2 316.449 2.090 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710750 782873818 /nfs/dbraw/zinc/87/38/18/782873818.db2.gz UZERAJNAKOAJHB-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(C(=[NH2+])OC)c1 ZINC001171072356 790559113 /nfs/dbraw/zinc/55/91/13/790559113.db2.gz KRKGPNKYRVEHSH-HNNXBMFYSA-N 2 2 319.405 2.297 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101835 778342876 /nfs/dbraw/zinc/34/28/76/778342876.db2.gz IZIUWVAOMQQYHO-BRWVUGGUSA-N 2 2 318.465 2.312 20 30 DEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697124 778679321 /nfs/dbraw/zinc/67/93/21/778679321.db2.gz UZNWFFVCVRBHJB-DLBZAZTESA-N 2 2 324.428 2.113 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001088329713 779966692 /nfs/dbraw/zinc/96/66/92/779966692.db2.gz FSIGSSCJXIIIHN-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001088329713 779966700 /nfs/dbraw/zinc/96/67/00/779966700.db2.gz FSIGSSCJXIIIHN-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390338 780061504 /nfs/dbraw/zinc/06/15/04/780061504.db2.gz LPLZNUQZJQKXDE-ZDUSSCGKSA-N 2 2 310.829 2.066 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600504 780571046 /nfs/dbraw/zinc/57/10/46/780571046.db2.gz TYVFRQZQLATVQP-HIFRSBDPSA-N 2 2 319.474 2.026 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600504 780571050 /nfs/dbraw/zinc/57/10/50/780571050.db2.gz TYVFRQZQLATVQP-HIFRSBDPSA-N 2 2 319.474 2.026 20 30 DEEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566827 780765761 /nfs/dbraw/zinc/76/57/61/780765761.db2.gz WXMNDUDPHODRCS-INIZCTEOSA-N 2 2 316.449 2.279 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791354 780992884 /nfs/dbraw/zinc/99/28/84/780992884.db2.gz DAEGRECZVPXVSX-KGLIPLIRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791354 780992888 /nfs/dbraw/zinc/99/28/88/780992888.db2.gz DAEGRECZVPXVSX-KGLIPLIRSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001091098485 790913677 /nfs/dbraw/zinc/91/36/77/790913677.db2.gz VKQALMNABIJHOT-UHFFFAOYSA-N 2 2 318.808 2.413 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966106157 783564688 /nfs/dbraw/zinc/56/46/88/783564688.db2.gz SZQXDTGJIDDNEU-PBHICJAKSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966106157 783564693 /nfs/dbraw/zinc/56/46/93/783564693.db2.gz SZQXDTGJIDDNEU-PBHICJAKSA-N 2 2 324.428 2.106 20 30 DEEDLP C#Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001144573599 790959090 /nfs/dbraw/zinc/95/90/90/790959090.db2.gz MNMUCISYVNMDNY-UHFFFAOYSA-N 2 2 306.413 2.397 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780574 784588393 /nfs/dbraw/zinc/58/83/93/784588393.db2.gz GOMDYVWOAMAZRZ-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968780574 784588401 /nfs/dbraw/zinc/58/84/01/784588401.db2.gz GOMDYVWOAMAZRZ-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780574 784588405 /nfs/dbraw/zinc/58/84/05/784588405.db2.gz GOMDYVWOAMAZRZ-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780574 784588414 /nfs/dbraw/zinc/58/84/14/784588414.db2.gz GOMDYVWOAMAZRZ-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711643 785508718 /nfs/dbraw/zinc/50/87/18/785508718.db2.gz NMKBMOMHWPNHOQ-BPUTZDHNSA-N 2 2 322.412 2.169 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109826823 786072901 /nfs/dbraw/zinc/07/29/01/786072901.db2.gz ZTBUQTSLIATXDF-SIXLDLHFSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109826823 786072909 /nfs/dbraw/zinc/07/29/09/786072909.db2.gz ZTBUQTSLIATXDF-SIXLDLHFSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109826823 786072916 /nfs/dbraw/zinc/07/29/16/786072916.db2.gz ZTBUQTSLIATXDF-SIXLDLHFSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109826823 786072924 /nfs/dbraw/zinc/07/29/24/786072924.db2.gz ZTBUQTSLIATXDF-SIXLDLHFSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563178 786159215 /nfs/dbraw/zinc/15/92/15/786159215.db2.gz JINAYRHWILXQIJ-KSSFIOAISA-N 2 2 316.449 2.092 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001113005362 786362519 /nfs/dbraw/zinc/36/25/19/786362519.db2.gz KYDBFSPXVUTFCC-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501571 786947636 /nfs/dbraw/zinc/94/76/36/786947636.db2.gz MTOLKKHPMPZHSS-ZACQAIPSSA-N 2 2 316.449 2.351 20 30 DEEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501571 786947641 /nfs/dbraw/zinc/94/76/41/786947641.db2.gz MTOLKKHPMPZHSS-ZACQAIPSSA-N 2 2 316.449 2.351 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024496 787884646 /nfs/dbraw/zinc/88/46/46/787884646.db2.gz GXTLNGUIANTYSR-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024496 787884658 /nfs/dbraw/zinc/88/46/58/787884658.db2.gz GXTLNGUIANTYSR-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222178 787980207 /nfs/dbraw/zinc/98/02/07/787980207.db2.gz UWYVLHMMQHSUGM-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222178 787980209 /nfs/dbraw/zinc/98/02/09/787980209.db2.gz UWYVLHMMQHSUGM-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409981 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C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCC1 ZINC001671535778 1081522197 /nfs/dbraw/zinc/52/21/97/1081522197.db2.gz FKFSTJPMFLPGIO-MRXNPFEDSA-N 2 2 317.433 2.083 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001671891657 1081546759 /nfs/dbraw/zinc/54/67/59/1081546759.db2.gz FNHDMKZHXLLQPT-IBGZPJMESA-N 2 2 324.428 2.418 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001671891657 1081546760 /nfs/dbraw/zinc/54/67/60/1081546760.db2.gz FNHDMKZHXLLQPT-IBGZPJMESA-N 2 2 324.428 2.418 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263665 1081581512 /nfs/dbraw/zinc/58/15/12/1081581512.db2.gz JYVUMQGKGXNVLJ-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001673407588 1081768334 /nfs/dbraw/zinc/76/83/34/1081768334.db2.gz SXSMFWNZSGDKIT-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001673407588 1081768339 /nfs/dbraw/zinc/76/83/39/1081768339.db2.gz SXSMFWNZSGDKIT-INIZCTEOSA-N 2 2 304.438 2.210 20 30 DEEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482388020 1081786656 /nfs/dbraw/zinc/78/66/56/1081786656.db2.gz RMCDRVSIQJJZTI-CQSZACIVSA-N 2 2 300.406 2.483 20 30 DEEDLP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482388019 1081786787 /nfs/dbraw/zinc/78/67/87/1081786787.db2.gz RMCDRVSIQJJZTI-AWEZNQCLSA-N 2 2 300.406 2.483 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001266476283 1082061513 /nfs/dbraw/zinc/06/15/13/1082061513.db2.gz VWCMAAFLTFQEHF-KRWDZBQOSA-N 2 2 318.465 2.410 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001266476283 1082061520 /nfs/dbraw/zinc/06/15/20/1082061520.db2.gz VWCMAAFLTFQEHF-KRWDZBQOSA-N 2 2 318.465 2.410 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482935973 1082568106 /nfs/dbraw/zinc/56/81/06/1082568106.db2.gz PCBGIYJMERAYJZ-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001276624317 1083520554 /nfs/dbraw/zinc/52/05/54/1083520554.db2.gz ISGVCTDHHBWHNJ-INIZCTEOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001276624317 1083520560 /nfs/dbraw/zinc/52/05/60/1083520560.db2.gz ISGVCTDHHBWHNJ-INIZCTEOSA-N 2 2 318.465 2.146 20 30 DEEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491215428 1084161163 /nfs/dbraw/zinc/16/11/63/1084161163.db2.gz XDKRSCOMQYPBPL-DLBZAZTESA-N 2 2 316.449 2.074 20 30 DEEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491215428 1084161166 /nfs/dbraw/zinc/16/11/66/1084161166.db2.gz XDKRSCOMQYPBPL-DLBZAZTESA-N 2 2 316.449 2.074 20 30 DEEDLP C=CCOc1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235009771 1084270135 /nfs/dbraw/zinc/27/01/35/1084270135.db2.gz ZACVAWHOHHWHCE-LJQANCHMSA-N 2 2 316.445 2.453 20 30 DEEDLP C=CCOc1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235009771 1084270144 /nfs/dbraw/zinc/27/01/44/1084270144.db2.gz ZACVAWHOHHWHCE-LJQANCHMSA-N 2 2 316.445 2.453 20 30 DEEDLP N#CCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001277948356 1084443934 /nfs/dbraw/zinc/44/39/34/1084443934.db2.gz HUHQRZOIRXUNMY-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001277948356 1084443939 /nfs/dbraw/zinc/44/39/39/1084443939.db2.gz HUHQRZOIRXUNMY-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001277948356 1084443941 /nfs/dbraw/zinc/44/39/41/1084443941.db2.gz HUHQRZOIRXUNMY-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP N#CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001277948356 1084443944 /nfs/dbraw/zinc/44/39/44/1084443944.db2.gz HUHQRZOIRXUNMY-KRWDZBQOSA-N 2 2 301.438 2.391 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961166491 1085622535 /nfs/dbraw/zinc/62/25/35/1085622535.db2.gz KCFREIGZXTVCFT-HZPDHXFCSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961166491 1085622540 /nfs/dbraw/zinc/62/25/40/1085622540.db2.gz KCFREIGZXTVCFT-HZPDHXFCSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961166491 1085622547 /nfs/dbraw/zinc/62/25/47/1085622547.db2.gz KCFREIGZXTVCFT-HZPDHXFCSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961166491 1085622551 /nfs/dbraw/zinc/62/25/51/1085622551.db2.gz KCFREIGZXTVCFT-HZPDHXFCSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961415170 1085725035 /nfs/dbraw/zinc/72/50/35/1085725035.db2.gz HUYFWLDLXNZSCV-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961415170 1085725046 /nfs/dbraw/zinc/72/50/46/1085725046.db2.gz HUYFWLDLXNZSCV-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947652 1088507342 /nfs/dbraw/zinc/50/73/42/1088507342.db2.gz IWJLNMACFMBLIA-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947652 1088507356 /nfs/dbraw/zinc/50/73/56/1088507356.db2.gz IWJLNMACFMBLIA-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419034 1088925758 /nfs/dbraw/zinc/92/57/58/1088925758.db2.gz IWXIQJXNBNMHDE-IIAWOOMASA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419034 1088925769 /nfs/dbraw/zinc/92/57/69/1088925769.db2.gz IWXIQJXNBNMHDE-IIAWOOMASA-N 2 2 316.449 2.232 20 30 DEEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001276208938 1091692487 /nfs/dbraw/zinc/69/24/87/1091692487.db2.gz VKXSSYRIERLDOY-OAHLLOKOSA-N 2 2 316.449 2.040 20 30 DEEDLP C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273487432 1091879177 /nfs/dbraw/zinc/87/91/77/1091879177.db2.gz KDRZEECMDVEGOK-SFHVURJKSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCCC[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273487432 1091879185 /nfs/dbraw/zinc/87/91/85/1091879185.db2.gz KDRZEECMDVEGOK-SFHVURJKSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766948 1091923375 /nfs/dbraw/zinc/92/33/75/1091923375.db2.gz OUVMDXDNLIINBC-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766948 1091923383 /nfs/dbraw/zinc/92/33/83/1091923383.db2.gz OUVMDXDNLIINBC-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812140 1091951361 /nfs/dbraw/zinc/95/13/61/1091951361.db2.gz HFRISRRFUXLADJ-CQSZACIVSA-N 2 2 310.829 2.018 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812140 1091951365 /nfs/dbraw/zinc/95/13/65/1091951365.db2.gz HFRISRRFUXLADJ-CQSZACIVSA-N 2 2 310.829 2.018 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001273848038 1092310188 /nfs/dbraw/zinc/31/01/88/1092310188.db2.gz FZBNWEUUTJSIHO-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001273848038 1092310202 /nfs/dbraw/zinc/31/02/02/1092310202.db2.gz FZBNWEUUTJSIHO-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C#CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275978475 1092428048 /nfs/dbraw/zinc/42/80/48/1092428048.db2.gz RCYCIDGCWYPQQH-IBGZPJMESA-N 2 2 314.477 2.430 20 30 DEEDLP C#CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275978475 1092428054 /nfs/dbraw/zinc/42/80/54/1092428054.db2.gz RCYCIDGCWYPQQH-IBGZPJMESA-N 2 2 314.477 2.430 20 30 DEEDLP C#CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275978475 1092428059 /nfs/dbraw/zinc/42/80/59/1092428059.db2.gz RCYCIDGCWYPQQH-IBGZPJMESA-N 2 2 314.477 2.430 20 30 DEEDLP C#CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275978475 1092428065 /nfs/dbraw/zinc/42/80/65/1092428065.db2.gz RCYCIDGCWYPQQH-IBGZPJMESA-N 2 2 314.477 2.430 20 30 DEEDLP C=C(C)C[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2)CC1 ZINC001490623170 1093450187 /nfs/dbraw/zinc/45/01/87/1093450187.db2.gz JXRSVARQAFMKTL-UHFFFAOYSA-N 2 2 304.438 2.162 20 30 DEEDLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001237179866 1138516626 /nfs/dbraw/zinc/51/66/26/1138516626.db2.gz LYUUHELZJBYQDC-SWLSCSKDSA-N 2 2 321.371 2.112 20 30 DEEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319608925 1140624499 /nfs/dbraw/zinc/62/44/99/1140624499.db2.gz LCOUEZWCQRVOGP-INIZCTEOSA-N 2 2 312.417 2.010 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C2)C1 ZINC001246553298 1140959098 /nfs/dbraw/zinc/95/90/98/1140959098.db2.gz YAPIONDCFOHFGI-JFIYKMOQSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C2)C1 ZINC001246553298 1140959113 /nfs/dbraw/zinc/95/91/13/1140959113.db2.gz YAPIONDCFOHFGI-JFIYKMOQSA-N 2 2 321.465 2.237 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321128571 1141062436 /nfs/dbraw/zinc/06/24/36/1141062436.db2.gz XAJUMVKWTWRLSV-LGZALOBFSA-N 2 2 316.449 2.062 20 30 DEEDLP N#Cc1cccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247868637 1141583062 /nfs/dbraw/zinc/58/30/62/1141583062.db2.gz RENFNCLAABXNHK-CQSZACIVSA-N 2 2 309.373 2.155 20 30 DEEDLP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001323659637 1141874968 /nfs/dbraw/zinc/87/49/68/1141874968.db2.gz DEFDGVYMKBTXQJ-ZXFUBFMLSA-N 2 2 316.449 2.420 20 30 DEEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001278572207 1142213912 /nfs/dbraw/zinc/21/39/12/1142213912.db2.gz MCHOHJMISVUUTE-SFHVURJKSA-N 2 2 318.465 2.482 20 30 DEEDLP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278682024 1142814960 /nfs/dbraw/zinc/81/49/60/1142814960.db2.gz QDQIWZHVIHAEPT-RDJZCZTQSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278682024 1142814961 /nfs/dbraw/zinc/81/49/61/1142814961.db2.gz QDQIWZHVIHAEPT-RDJZCZTQSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001256077065 1143827931 /nfs/dbraw/zinc/82/79/31/1143827931.db2.gz MLTRNIOAJDLPLQ-LJQANCHMSA-N 2 2 317.477 2.114 20 30 DEEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001256077065 1143827932 /nfs/dbraw/zinc/82/79/32/1143827932.db2.gz MLTRNIOAJDLPLQ-LJQANCHMSA-N 2 2 317.477 2.114 20 30 DEEDLP C#CCC[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001278912709 1143830646 /nfs/dbraw/zinc/83/06/46/1143830646.db2.gz WCXQZTFVENPYNQ-UHFFFAOYSA-N 2 2 312.417 2.369 20 30 DEEDLP C#CCC[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001278912709 1143830647 /nfs/dbraw/zinc/83/06/47/1143830647.db2.gz WCXQZTFVENPYNQ-UHFFFAOYSA-N 2 2 312.417 2.369 20 30 DEEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278998371 1143891815 /nfs/dbraw/zinc/89/18/15/1143891815.db2.gz DOLJFRMQSGAJDY-NVXWUHKLSA-N 2 2 324.428 2.106 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001263804404 1144395571 /nfs/dbraw/zinc/39/55/71/1144395571.db2.gz BXWFJCJBFGOLIU-HOTGVXAUSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001263804404 1144395575 /nfs/dbraw/zinc/39/55/75/1144395575.db2.gz BXWFJCJBFGOLIU-HOTGVXAUSA-N 2 2 304.438 2.161 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001264465734 1144543609 /nfs/dbraw/zinc/54/36/09/1144543609.db2.gz JQEMZXPPRHETGP-ZJIFWQFVSA-N 2 2 316.449 2.354 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001264465734 1144543615 /nfs/dbraw/zinc/54/36/15/1144543615.db2.gz JQEMZXPPRHETGP-ZJIFWQFVSA-N 2 2 316.449 2.354 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001264741980 1144603735 /nfs/dbraw/zinc/60/37/35/1144603735.db2.gz YAIYIWTYPAVPQN-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001264741980 1144603741 /nfs/dbraw/zinc/60/37/41/1144603741.db2.gz YAIYIWTYPAVPQN-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265397256 1144702081 /nfs/dbraw/zinc/70/20/81/1144702081.db2.gz VCLMPGHBSVJTOW-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265397256 1144702082 /nfs/dbraw/zinc/70/20/82/1144702082.db2.gz VCLMPGHBSVJTOW-HNNXBMFYSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265708597 1144732537 /nfs/dbraw/zinc/73/25/37/1144732537.db2.gz QLYQTPBABWQTRQ-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265708597 1144732541 /nfs/dbraw/zinc/73/25/41/1144732541.db2.gz QLYQTPBABWQTRQ-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266010336 1144785028 /nfs/dbraw/zinc/78/50/28/1144785028.db2.gz HICRNHDZHSWWLB-HOTGVXAUSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001282718051 1145142070 /nfs/dbraw/zinc/14/20/70/1145142070.db2.gz WNYPFMMKWCWUNC-DOTOQJQBSA-N 2 2 318.465 2.483 20 30 DEEDLP C=CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001283650256 1145561734 /nfs/dbraw/zinc/56/17/34/1145561734.db2.gz UUUFHIGIDJJDIO-HNNXBMFYSA-N 2 2 312.417 2.499 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001284191740 1145815014 /nfs/dbraw/zinc/81/50/14/1145815014.db2.gz BMFMWAUEAOPMOG-GJZGRUSLSA-N 2 2 312.417 2.399 20 30 DEEDLP C=CCCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001284311675 1145834840 /nfs/dbraw/zinc/83/48/40/1145834840.db2.gz YBICFBSFELESBK-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001316953004 1147638441 /nfs/dbraw/zinc/63/84/41/1147638441.db2.gz IRKASNMYDRPKLU-ZWKOTPCHSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001316953004 1147638443 /nfs/dbraw/zinc/63/84/43/1147638443.db2.gz IRKASNMYDRPKLU-ZWKOTPCHSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001367182694 1147661465 /nfs/dbraw/zinc/66/14/65/1147661465.db2.gz HRRJZMUKHKAXQJ-BLLLJJGKSA-N 2 2 324.856 2.359 20 30 DEEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317188050 1147673473 /nfs/dbraw/zinc/67/34/73/1147673473.db2.gz GTEWDIBZBAPPOV-SFHVURJKSA-N 2 2 322.412 2.090 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001317355224 1147695207 /nfs/dbraw/zinc/69/52/07/1147695207.db2.gz LSCFZOXRIUAPEP-INIZCTEOSA-N 2 2 304.438 2.068 20 30 DEEDLP C#CCC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001317723391 1147747464 /nfs/dbraw/zinc/74/74/64/1147747464.db2.gz GLJZMGQSYJSXTL-WMZOPIPTSA-N 2 2 324.428 2.305 20 30 DEEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001325429215 1147906939 /nfs/dbraw/zinc/90/69/39/1147906939.db2.gz PMWGABWVLTYAJO-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329006442 539913302 /nfs/dbraw/zinc/91/33/02/539913302.db2.gz XVFHHVNZZUZRRD-UONOGXRCSA-N 2 2 302.422 2.419 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329006442 539913304 /nfs/dbraw/zinc/91/33/04/539913304.db2.gz XVFHHVNZZUZRRD-UONOGXRCSA-N 2 2 302.422 2.419 20 30 DEEDLP C[C@@H]1CCC[C@@](CNC(=O)N2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000329466924 539921069 /nfs/dbraw/zinc/92/10/69/539921069.db2.gz VUXSUSSUDRXVAW-RHSMWYFYSA-N 2 2 319.453 2.123 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000330220089 539935724 /nfs/dbraw/zinc/93/57/24/539935724.db2.gz KQCQTRUNMKOLGN-XPKDYRNWSA-N 2 2 318.421 2.224 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000330220089 539935730 /nfs/dbraw/zinc/93/57/30/539935730.db2.gz KQCQTRUNMKOLGN-XPKDYRNWSA-N 2 2 318.421 2.224 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000072966913 354933178 /nfs/dbraw/zinc/93/31/78/354933178.db2.gz YZIHCDASUMIEKQ-UHFFFAOYSA-N 2 2 312.461 2.162 20 30 DEEDLP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593704173 358127475 /nfs/dbraw/zinc/12/74/75/358127475.db2.gz ZNEVHMLDVIZXFA-MRXNPFEDSA-N 2 2 323.444 2.397 20 30 DEEDLP C[NH+](C)CCN(Cc1c[nH+]c2n1CCC2)Cc1ccc(C#N)cc1 ZINC000597126077 358829438 /nfs/dbraw/zinc/82/94/38/358829438.db2.gz DEXBIWHZCQLOCU-UHFFFAOYSA-N 2 2 323.444 2.265 20 30 DEEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C#N)CC2)CC1 ZINC000600154082 359666652 /nfs/dbraw/zinc/66/66/52/359666652.db2.gz VUUUWYZWPQFQFV-UHFFFAOYSA-N 2 2 318.852 2.485 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281185906 216138469 /nfs/dbraw/zinc/13/84/69/216138469.db2.gz BFTLFLCBAOONMX-HNNXBMFYSA-N 2 2 314.433 2.303 20 30 DEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281185906 216138473 /nfs/dbraw/zinc/13/84/73/216138473.db2.gz BFTLFLCBAOONMX-HNNXBMFYSA-N 2 2 314.433 2.303 20 30 DEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602547408 360427101 /nfs/dbraw/zinc/42/71/01/360427101.db2.gz YMQJCMNCUOKDJS-MAUKXSAKSA-N 2 2 316.449 2.180 20 30 DEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602547408 360427104 /nfs/dbraw/zinc/42/71/04/360427104.db2.gz YMQJCMNCUOKDJS-MAUKXSAKSA-N 2 2 316.449 2.180 20 30 DEEDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000271923013 209325744 /nfs/dbraw/zinc/32/57/44/209325744.db2.gz FIJKPNOZBJPERP-KBPBESRZSA-N 2 2 305.397 2.316 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157419 361285490 /nfs/dbraw/zinc/28/54/90/361285490.db2.gz LJNYYGNRTGHWSN-RHSMWYFYSA-N 2 2 323.400 2.419 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157419 361285494 /nfs/dbraw/zinc/28/54/94/361285494.db2.gz LJNYYGNRTGHWSN-RHSMWYFYSA-N 2 2 323.400 2.419 20 30 DEEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000684207447 542572604 /nfs/dbraw/zinc/57/26/04/542572604.db2.gz PRUVUMKTYIAYDN-WMZOPIPTSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000684207447 542572606 /nfs/dbraw/zinc/57/26/06/542572606.db2.gz PRUVUMKTYIAYDN-WMZOPIPTSA-N 2 2 303.450 2.474 20 30 DEEDLP CCCOc1ccc(/C=[NH+]/[C@H](C)CN2CC[NH+](C)CC2)c(O)c1 ZINC000106586415 402214462 /nfs/dbraw/zinc/21/44/62/402214462.db2.gz XYRVAEHSWXHOBO-DQPIFXJKSA-N 2 2 319.449 2.236 20 30 DEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000125231969 402220410 /nfs/dbraw/zinc/22/04/10/402220410.db2.gz UMVZJONRWPQBHA-OALUTQOASA-N 2 2 312.461 2.353 20 30 DEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000125231969 402220413 /nfs/dbraw/zinc/22/04/13/402220413.db2.gz UMVZJONRWPQBHA-OALUTQOASA-N 2 2 312.461 2.353 20 30 DEEDLP N#Cc1ccccc1N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000183173244 402744510 /nfs/dbraw/zinc/74/45/10/402744510.db2.gz AVTCKHPFDHGXQW-UHFFFAOYSA-N 2 2 309.417 2.357 20 30 DEEDLP N#Cc1ccccc1N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000183173244 402744512 /nfs/dbraw/zinc/74/45/12/402744512.db2.gz AVTCKHPFDHGXQW-UHFFFAOYSA-N 2 2 309.417 2.357 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273573684 403016825 /nfs/dbraw/zinc/01/68/25/403016825.db2.gz LGCKQDOETXJDRK-ZDUSSCGKSA-N 2 2 318.417 2.480 20 30 DEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000270961104 403245568 /nfs/dbraw/zinc/24/55/68/403245568.db2.gz AVGKENACFVIBFW-FHLIZLRMSA-N 2 2 310.401 2.371 20 30 DEEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000270961104 403245570 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DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001403109711 1162728614 /nfs/dbraw/zinc/72/86/14/1162728614.db2.gz CVQMZVBYTHWKDC-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001403109711 1162728627 /nfs/dbraw/zinc/72/86/27/1162728627.db2.gz CVQMZVBYTHWKDC-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001403109711 1162728644 /nfs/dbraw/zinc/72/86/44/1162728644.db2.gz CVQMZVBYTHWKDC-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001403109711 1162728652 /nfs/dbraw/zinc/72/86/52/1162728652.db2.gz CVQMZVBYTHWKDC-UONOGXRCSA-N 2 2 301.862 2.048 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001372359877 1156374217 /nfs/dbraw/zinc/37/42/17/1156374217.db2.gz OQTFVMDMIGQTJS-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001372359877 1156374221 /nfs/dbraw/zinc/37/42/21/1156374221.db2.gz OQTFVMDMIGQTJS-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001372359877 1156374226 /nfs/dbraw/zinc/37/42/26/1156374226.db2.gz OQTFVMDMIGQTJS-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001372359877 1156374232 /nfs/dbraw/zinc/37/42/32/1156374232.db2.gz OQTFVMDMIGQTJS-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001392010178 1156848853 /nfs/dbraw/zinc/84/88/53/1156848853.db2.gz DGLLPMDVCKCLKH-UHFFFAOYSA-N 2 2 324.856 2.124 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001392332033 1157026225 /nfs/dbraw/zinc/02/62/25/1157026225.db2.gz MAMALNQPWJRIRF-MRXNPFEDSA-N 2 2 323.868 2.432 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001392332033 1157026232 /nfs/dbraw/zinc/02/62/32/1157026232.db2.gz MAMALNQPWJRIRF-MRXNPFEDSA-N 2 2 323.868 2.432 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001400294126 1161711719 /nfs/dbraw/zinc/71/17/19/1161711719.db2.gz CUIPQSGPJRAVEG-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001400294126 1161711722 /nfs/dbraw/zinc/71/17/22/1161711722.db2.gz CUIPQSGPJRAVEG-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001400294126 1161711725 /nfs/dbraw/zinc/71/17/25/1161711725.db2.gz CUIPQSGPJRAVEG-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001400294126 1161711728 /nfs/dbraw/zinc/71/17/28/1161711728.db2.gz CUIPQSGPJRAVEG-GJZGRUSLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001418934840 1168078387 /nfs/dbraw/zinc/07/83/87/1168078387.db2.gz WDQHOXAAKHYOGE-CABCVRRESA-N 2 2 324.856 2.367 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001418934840 1168078388 /nfs/dbraw/zinc/07/83/88/1168078388.db2.gz WDQHOXAAKHYOGE-CABCVRRESA-N 2 2 324.856 2.367 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001421135564 1171522439 /nfs/dbraw/zinc/52/24/39/1171522439.db2.gz JPBCDUHZBVCRRX-GFCCVEGCSA-N 2 2 310.829 2.020 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001449264938 1185597835 /nfs/dbraw/zinc/59/78/35/1185597835.db2.gz GGYHMYDNLJPPHW-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001449264938 1185597848 /nfs/dbraw/zinc/59/78/48/1185597848.db2.gz GGYHMYDNLJPPHW-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001449264938 1185597862 /nfs/dbraw/zinc/59/78/62/1185597862.db2.gz GGYHMYDNLJPPHW-HNNXBMFYSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001449264938 1185597889 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LAJLAYHYUCLTPX-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007439946 784919619 /nfs/dbraw/zinc/91/96/19/784919619.db2.gz GMBJCRIKSVKDFP-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007439946 784919624 /nfs/dbraw/zinc/91/96/24/784919624.db2.gz GMBJCRIKSVKDFP-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682989 785850067 /nfs/dbraw/zinc/85/00/67/785850067.db2.gz SLYJIAJFFZIDSS-OAHLLOKOSA-N 2 2 306.454 2.146 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682989 785850078 /nfs/dbraw/zinc/85/00/78/785850078.db2.gz SLYJIAJFFZIDSS-OAHLLOKOSA-N 2 2 306.454 2.146 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001113387870 786559177 /nfs/dbraw/zinc/55/91/77/786559177.db2.gz UUFREOPEEBFALM-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014726262 786726789 /nfs/dbraw/zinc/72/67/89/786726789.db2.gz FGWBNCHEIFVJGM-CABCVRRESA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014726262 786726793 /nfs/dbraw/zinc/72/67/93/786726793.db2.gz FGWBNCHEIFVJGM-CABCVRRESA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014726262 786726797 /nfs/dbraw/zinc/72/67/97/786726797.db2.gz FGWBNCHEIFVJGM-CABCVRRESA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014726262 786726798 /nfs/dbraw/zinc/72/67/98/786726798.db2.gz FGWBNCHEIFVJGM-CABCVRRESA-N 2 2 313.873 2.192 20 30 DEEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001132992188 788250638 /nfs/dbraw/zinc/25/06/38/788250638.db2.gz DMTHZKDRDGHBBL-GUYCJALGSA-N 2 2 313.445 2.328 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133274628 788346120 /nfs/dbraw/zinc/34/61/20/788346120.db2.gz 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2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001480329561 1062665469 /nfs/dbraw/zinc/66/54/69/1062665469.db2.gz AYOVYNMFKYJCFC-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001480329561 1062665484 /nfs/dbraw/zinc/66/54/84/1062665484.db2.gz AYOVYNMFKYJCFC-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001480329561 1062665497 /nfs/dbraw/zinc/66/54/97/1062665497.db2.gz AYOVYNMFKYJCFC-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001507352608 1063143630 /nfs/dbraw/zinc/14/36/30/1063143630.db2.gz MGWFLCIVFNGVRN-FUHWJXTLSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001507352608 1063143638 /nfs/dbraw/zinc/14/36/38/1063143638.db2.gz MGWFLCIVFNGVRN-FUHWJXTLSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001507358404 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WRHYYKWXIYQHFJ-MRXNPFEDSA-N 2 2 318.465 2.199 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001493158597 1063610221 /nfs/dbraw/zinc/61/02/21/1063610221.db2.gz FKVGKECDXSFCNV-WBVHZDCISA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001493158597 1063610232 /nfs/dbraw/zinc/61/02/32/1063610232.db2.gz FKVGKECDXSFCNV-WBVHZDCISA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001493965524 1064046359 /nfs/dbraw/zinc/04/63/59/1064046359.db2.gz VEATYLFWFBTVKJ-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001493965524 1064046366 /nfs/dbraw/zinc/04/63/66/1064046366.db2.gz VEATYLFWFBTVKJ-HNNXBMFYSA-N 2 2 324.856 2.257 20 30 DEEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001494786372 1064464827 /nfs/dbraw/zinc/46/48/27/1064464827.db2.gz INQBFMVNLPKNBK-IAGOWNOFSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001494786372 1064464837 /nfs/dbraw/zinc/46/48/37/1064464837.db2.gz INQBFMVNLPKNBK-IAGOWNOFSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494786372 1064464839 /nfs/dbraw/zinc/46/48/39/1064464839.db2.gz INQBFMVNLPKNBK-IAGOWNOFSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001494786372 1064464851 /nfs/dbraw/zinc/46/48/51/1064464851.db2.gz INQBFMVNLPKNBK-IAGOWNOFSA-N 2 2 301.434 2.056 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567914334 1064510326 /nfs/dbraw/zinc/51/03/26/1064510326.db2.gz RSXBUTKRNVXSGF-IRXDYDNUSA-N 2 2 316.449 2.026 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567914334 1064510341 /nfs/dbraw/zinc/51/03/41/1064510341.db2.gz RSXBUTKRNVXSGF-IRXDYDNUSA-N 2 2 316.449 2.026 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001568393764 1064832978 /nfs/dbraw/zinc/83/29/78/1064832978.db2.gz RWXDRVXSNQXOBS-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001495391173 1064875903 /nfs/dbraw/zinc/87/59/03/1064875903.db2.gz NMRNLBQMOGKTNI-JKSUJKDBSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001495391171 1064876197 /nfs/dbraw/zinc/87/61/97/1064876197.db2.gz NMRNLBQMOGKTNI-HOTGVXAUSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568487499 1064904310 /nfs/dbraw/zinc/90/43/10/1064904310.db2.gz FINMZNSKDRCWSZ-JKSUJKDBSA-N 2 2 318.465 2.190 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568487499 1064904323 /nfs/dbraw/zinc/90/43/23/1064904323.db2.gz FINMZNSKDRCWSZ-JKSUJKDBSA-N 2 2 318.465 2.190 20 30 DEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001495495975 1064946278 /nfs/dbraw/zinc/94/62/78/1064946278.db2.gz HYNRYXDNUHRXDZ-CQSZACIVSA-N 2 2 312.417 2.180 20 30 DEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001495495975 1064946287 /nfs/dbraw/zinc/94/62/87/1064946287.db2.gz HYNRYXDNUHRXDZ-CQSZACIVSA-N 2 2 312.417 2.180 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001569480476 1065532087 /nfs/dbraw/zinc/53/20/87/1065532087.db2.gz ATPRNGAWDDZAFO-GOSISDBHSA-N 2 2 316.449 2.151 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001569480476 1065532103 /nfs/dbraw/zinc/53/21/03/1065532103.db2.gz ATPRNGAWDDZAFO-GOSISDBHSA-N 2 2 316.449 2.151 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497213600 1065965749 /nfs/dbraw/zinc/96/57/49/1065965749.db2.gz CCQYACMLJTXBRV-LLVKDONJSA-N 2 2 306.797 2.413 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267046311 1078525392 /nfs/dbraw/zinc/52/53/92/1078525392.db2.gz ATDAINFJJSVMSS-IRXDYDNUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001571626595 1068448229 /nfs/dbraw/zinc/44/82/29/1068448229.db2.gz CNDOFLJYQLIFBN-HUUCEWRRSA-N 2 2 318.465 2.142 20 30 DEEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001571646460 1068457365 /nfs/dbraw/zinc/45/73/65/1068457365.db2.gz VWFWBAFFLRJVSH-OAHLLOKOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001571662894 1068467533 /nfs/dbraw/zinc/46/75/33/1068467533.db2.gz VQENKIAOVCRNAA-FHERZECASA-N 2 2 304.438 2.379 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267295922 1078743535 /nfs/dbraw/zinc/74/35/35/1078743535.db2.gz DGGMHMWEMLSMRM-IRXDYDNUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267295922 1078743541 /nfs/dbraw/zinc/74/35/41/1078743541.db2.gz DGGMHMWEMLSMRM-IRXDYDNUSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001483705822 1078831164 /nfs/dbraw/zinc/83/11/64/1078831164.db2.gz JIRHOIUUPVMUAC-IRXDYDNUSA-N 2 2 301.434 2.056 20 30 DEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001649989981 1079343047 /nfs/dbraw/zinc/34/30/47/1079343047.db2.gz VQRDCYHVHVNNRY-HZPDHXFCSA-N 2 2 316.449 2.119 20 30 DEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001649989981 1079343053 /nfs/dbraw/zinc/34/30/53/1079343053.db2.gz VQRDCYHVHVNNRY-HZPDHXFCSA-N 2 2 316.449 2.119 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001565827619 1075191615 /nfs/dbraw/zinc/19/16/15/1075191615.db2.gz DSBZDNPWXBCVGN-HOCLYGCPSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001565827619 1075191618 /nfs/dbraw/zinc/19/16/18/1075191618.db2.gz DSBZDNPWXBCVGN-HOCLYGCPSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001565827619 1075191621 /nfs/dbraw/zinc/19/16/21/1075191621.db2.gz 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ZINC001246709660 1141040725 /nfs/dbraw/zinc/04/07/25/1141040725.db2.gz UOUKCPUAJATQFD-LZLYRXPVSA-N 2 2 305.466 2.160 20 30 DEEDLP C=C(C)C[NH2+]C/C=C\CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001321294692 1141131302 /nfs/dbraw/zinc/13/13/02/1141131302.db2.gz QQGSGSJVQSKHHZ-PLNGDYQASA-N 2 2 312.417 2.023 20 30 DEEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CC ZINC001323171327 1141821262 /nfs/dbraw/zinc/82/12/62/1141821262.db2.gz VMLQCLJNRAOTMJ-HOTGVXAUSA-N 2 2 304.438 2.066 20 30 DEEDLP CC[C@H](CC#N)[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC001255152766 1143449737 /nfs/dbraw/zinc/44/97/37/1143449737.db2.gz ATRWXJLKTYLPIB-GOSISDBHSA-N 2 2 300.450 2.216 20 30 DEEDLP CC[C@H](CC#N)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001255152766 1143449748 /nfs/dbraw/zinc/44/97/48/1143449748.db2.gz ATRWXJLKTYLPIB-GOSISDBHSA-N 2 2 300.450 2.216 20 30 DEEDLP C=CCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001261283020 1144230565 /nfs/dbraw/zinc/23/05/65/1144230565.db2.gz CFTQXAHKMUNZML-HNNXBMFYSA-N 2 2 304.438 2.117 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001264677507 1144590649 /nfs/dbraw/zinc/59/06/49/1144590649.db2.gz CBRVXEGPGGUANH-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001264677507 1144590659 /nfs/dbraw/zinc/59/06/59/1144590659.db2.gz CBRVXEGPGGUANH-MRXNPFEDSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)CC[N@H+](C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001264999203 1144622035 /nfs/dbraw/zinc/62/20/35/1144622035.db2.gz MMOXJXDATKFPQY-UHFFFAOYSA-N 2 2 306.454 2.331 20 30 DEEDLP C=C(C)CC[N@@H+](C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001264999203 1144622038 /nfs/dbraw/zinc/62/20/38/1144622038.db2.gz MMOXJXDATKFPQY-UHFFFAOYSA-N 2 2 306.454 2.331 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265708596 1144732775 /nfs/dbraw/zinc/73/27/75/1144732775.db2.gz QLYQTPBABWQTRQ-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265708596 1144732781 /nfs/dbraw/zinc/73/27/81/1144732781.db2.gz QLYQTPBABWQTRQ-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP CC(C)(C)C#CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702628004 1144803556 /nfs/dbraw/zinc/80/35/56/1144803556.db2.gz IEQLLECXYRSWPX-LJQANCHMSA-N 2 2 300.446 2.263 20 30 DEEDLP CC(C)(C)C#CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702628004 1144803557 /nfs/dbraw/zinc/80/35/57/1144803557.db2.gz IEQLLECXYRSWPX-LJQANCHMSA-N 2 2 300.446 2.263 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001280487930 1144842207 /nfs/dbraw/zinc/84/22/07/1144842207.db2.gz KXWZMZOKIVHBIK-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(C)CC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001282624698 1145099572 /nfs/dbraw/zinc/09/95/72/1145099572.db2.gz NSZFYPDTVCIKMH-UHFFFAOYSA-N 2 2 304.438 2.327 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738154 1147593520 /nfs/dbraw/zinc/59/35/20/1147593520.db2.gz JSKSKANDVZMHQV-CWRNSKLLSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738154 1147593525 /nfs/dbraw/zinc/59/35/25/1147593525.db2.gz JSKSKANDVZMHQV-CWRNSKLLSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738154 1147593528 /nfs/dbraw/zinc/59/35/28/1147593528.db2.gz JSKSKANDVZMHQV-CWRNSKLLSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738154 1147593531 /nfs/dbraw/zinc/59/35/31/1147593531.db2.gz JSKSKANDVZMHQV-CWRNSKLLSA-N 2 2 304.438 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001316953001 1147638580 /nfs/dbraw/zinc/63/85/80/1147638580.db2.gz IRKASNMYDRPKLU-MSOLQXFVSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001316953001 1147638582 /nfs/dbraw/zinc/63/85/82/1147638582.db2.gz IRKASNMYDRPKLU-MSOLQXFVSA-N 2 2 315.461 2.446 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317687333 1147744468 /nfs/dbraw/zinc/74/44/68/1147744468.db2.gz SEWACOOMSCHEGW-HUUCEWRRSA-N 2 2 318.465 2.381 20 30 DEEDLP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317687333 1147744470 /nfs/dbraw/zinc/74/44/70/1147744470.db2.gz SEWACOOMSCHEGW-HUUCEWRRSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318127952 1147778329 /nfs/dbraw/zinc/77/83/29/1147778329.db2.gz DLOQRQRFAYQDHC-MRXNPFEDSA-N 2 2 304.438 2.094 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001325666575 1147980442 /nfs/dbraw/zinc/98/04/42/1147980442.db2.gz ZMLVEAOLXRURND-SHTZXODSSA-N 2 2 304.438 2.041 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326286005 1148069754 /nfs/dbraw/zinc/06/97/54/1148069754.db2.gz HTRJEOIBWZBOLW-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326286005 1148069762 /nfs/dbraw/zinc/06/97/62/1148069762.db2.gz HTRJEOIBWZBOLW-OAHLLOKOSA-N 2 2 304.438 2.137 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000614962687 362498824 /nfs/dbraw/zinc/49/88/24/362498824.db2.gz CLQLKJJTTYVHOV-LPHOPBHVSA-N 2 2 312.461 2.331 20 30 DEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000614962687 362498832 /nfs/dbraw/zinc/49/88/32/362498832.db2.gz CLQLKJJTTYVHOV-LPHOPBHVSA-N 2 2 312.461 2.331 20 30 DEEDLP N#CCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595471870 358457878 /nfs/dbraw/zinc/45/78/78/358457878.db2.gz FSXQGZYWTFJTNK-LJQANCHMSA-N 2 2 313.445 2.439 20 30 DEEDLP N#CCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595471870 358457885 /nfs/dbraw/zinc/45/78/85/358457885.db2.gz FSXQGZYWTFJTNK-LJQANCHMSA-N 2 2 313.445 2.439 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973954 198275229 /nfs/dbraw/zinc/27/52/29/198275229.db2.gz VAAUDYXZFFLZRS-AEFFLSMTSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973954 198275231 /nfs/dbraw/zinc/27/52/31/198275231.db2.gz VAAUDYXZFFLZRS-AEFFLSMTSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973954 198275232 /nfs/dbraw/zinc/27/52/32/198275232.db2.gz VAAUDYXZFFLZRS-AEFFLSMTSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973954 198275234 /nfs/dbraw/zinc/27/52/34/198275234.db2.gz VAAUDYXZFFLZRS-AEFFLSMTSA-N 2 2 315.461 2.131 20 30 DEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083902636 355471086 /nfs/dbraw/zinc/47/10/86/355471086.db2.gz SYQCYXUFANVZFY-GXTWGEPZSA-N 2 2 306.479 2.070 20 30 DEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083902636 355471088 /nfs/dbraw/zinc/47/10/88/355471088.db2.gz SYQCYXUFANVZFY-GXTWGEPZSA-N 2 2 306.479 2.070 20 30 DEEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183190985 356162139 /nfs/dbraw/zinc/16/21/39/356162139.db2.gz ZBMAENMGMFNRAV-SFHVURJKSA-N 2 2 309.417 2.156 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081516550 192277087 /nfs/dbraw/zinc/27/70/87/192277087.db2.gz UQMOZGWYMRXPTK-IRXDYDNUSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081516550 192277089 /nfs/dbraw/zinc/27/70/89/192277089.db2.gz UQMOZGWYMRXPTK-IRXDYDNUSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081516550 192277092 /nfs/dbraw/zinc/27/70/92/192277092.db2.gz UQMOZGWYMRXPTK-IRXDYDNUSA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081516550 192277093 /nfs/dbraw/zinc/27/70/93/192277093.db2.gz UQMOZGWYMRXPTK-IRXDYDNUSA-N 2 2 309.498 2.463 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000590778915 357610867 /nfs/dbraw/zinc/61/08/67/357610867.db2.gz OLBQEINXVQJHER-HKUYNNGSSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000590778915 357610870 /nfs/dbraw/zinc/61/08/70/357610870.db2.gz OLBQEINXVQJHER-HKUYNNGSSA-N 2 2 313.445 2.372 20 30 DEEDLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323578 358054927 /nfs/dbraw/zinc/05/49/27/358054927.db2.gz QHIUJTQYVHAEOK-HUUCEWRRSA-N 3 2 300.450 2.238 20 30 DEEDLP C=CCC1([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCOCC1 ZINC000597208310 358853987 /nfs/dbraw/zinc/85/39/87/358853987.db2.gz ZLCLCEXXKPBZNH-UHFFFAOYSA-N 2 2 324.465 2.119 20 30 DEEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602610705 360456743 /nfs/dbraw/zinc/45/67/43/360456743.db2.gz IUJLSYMRPGKZPH-QGZVFWFLSA-N 2 2 317.433 2.179 20 30 DEEDLP C[N@H+](CC1(CC#N)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602810120 360567582 /nfs/dbraw/zinc/56/75/82/360567582.db2.gz DAOLLIHLHBVOQQ-IBGZPJMESA-N 2 2 313.445 2.249 20 30 DEEDLP C[N@@H+](CC1(CC#N)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602810120 360567585 /nfs/dbraw/zinc/56/75/85/360567585.db2.gz DAOLLIHLHBVOQQ-IBGZPJMESA-N 2 2 313.445 2.249 20 30 DEEDLP C[NH+](CC1(CC#N)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602810120 360567589 /nfs/dbraw/zinc/56/75/89/360567589.db2.gz DAOLLIHLHBVOQQ-IBGZPJMESA-N 2 2 313.445 2.249 20 30 DEEDLP C[NH+](CC1(CC#N)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602810120 360567593 /nfs/dbraw/zinc/56/75/93/360567593.db2.gz DAOLLIHLHBVOQQ-IBGZPJMESA-N 2 2 313.445 2.249 20 30 DEEDLP CC(C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271920032 209324183 /nfs/dbraw/zinc/32/41/83/209324183.db2.gz ZZJWPZKFTNLJHG-GOSISDBHSA-N 2 2 301.434 2.129 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493582492 249330061 /nfs/dbraw/zinc/33/00/61/249330061.db2.gz JOUVZBPIRJYGOS-KIUWMYQTSA-N 2 2 302.422 2.238 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)C3CC3)CC2)cc1 ZINC000353848616 133006773 /nfs/dbraw/zinc/00/67/73/133006773.db2.gz IAIVCCLXFMNKIY-GOSISDBHSA-N 2 2 313.445 2.131 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000563357429 292049103 /nfs/dbraw/zinc/04/91/03/292049103.db2.gz VKDFBLPLFHZXEA-UHFFFAOYSA-N 2 2 301.781 2.257 20 30 DEEDLP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000348294236 146250514 /nfs/dbraw/zinc/25/05/14/146250514.db2.gz QOVCRQCYLRILDT-GOSISDBHSA-N 2 2 315.461 2.377 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1F ZINC000374422708 148245073 /nfs/dbraw/zinc/24/50/73/148245073.db2.gz SLTJJQFTASBARW-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1F ZINC000374422708 148245075 /nfs/dbraw/zinc/24/50/75/148245075.db2.gz SLTJJQFTASBARW-KBAYOESNSA-N 2 2 317.408 2.381 20 30 DEEDLP C=C(C)CN(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127467011 401736616 /nfs/dbraw/zinc/73/66/16/401736616.db2.gz UGLQUJNNYBYKBK-UHFFFAOYSA-N 2 2 322.497 2.153 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C#N ZINC000126377789 401691381 /nfs/dbraw/zinc/69/13/81/401691381.db2.gz OEURBUNGAFPPOC-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C#N ZINC000126377789 401691384 /nfs/dbraw/zinc/69/13/84/401691384.db2.gz OEURBUNGAFPPOC-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000170912841 402541116 /nfs/dbraw/zinc/54/11/16/402541116.db2.gz ORPLPSIEBDPPCT-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000170912841 402541112 /nfs/dbraw/zinc/54/11/12/402541112.db2.gz ORPLPSIEBDPPCT-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP CO[C@@H](C)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000181607877 402651806 /nfs/dbraw/zinc/65/18/06/402651806.db2.gz GRDXMMMIXRYHJG-AWEZNQCLSA-N 2 2 305.422 2.344 20 30 DEEDLP CC[C@@](C)(CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272122449 402900261 /nfs/dbraw/zinc/90/02/61/402900261.db2.gz QNABDBYQRGARSC-SFHVURJKSA-N 2 2 301.434 2.273 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2CCCOC)CC1 ZINC000282796329 403159656 /nfs/dbraw/zinc/15/96/56/403159656.db2.gz ZBOBZNRRNKVKPG-UHFFFAOYSA-N 2 2 306.454 2.050 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3(O)CCC3)CC2)cc1 ZINC000284332241 403264286 /nfs/dbraw/zinc/26/42/86/403264286.db2.gz KVLMBQOJADSBIU-UHFFFAOYSA-N 2 2 313.445 2.417 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285719828 403365392 /nfs/dbraw/zinc/36/53/92/403365392.db2.gz QCJBORCDBBQBOK-UHFFFAOYSA-N 2 2 321.465 2.458 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285719828 403365395 /nfs/dbraw/zinc/36/53/95/403365395.db2.gz QCJBORCDBBQBOK-UHFFFAOYSA-N 2 2 321.465 2.458 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285719828 403365400 /nfs/dbraw/zinc/36/54/00/403365400.db2.gz QCJBORCDBBQBOK-UHFFFAOYSA-N 2 2 321.465 2.458 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285719828 403365402 /nfs/dbraw/zinc/36/54/02/403365402.db2.gz QCJBORCDBBQBOK-UHFFFAOYSA-N 2 2 321.465 2.458 20 30 DEEDLP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346899152 403606650 /nfs/dbraw/zinc/60/66/50/403606650.db2.gz UVDLMOAPXXTOJM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346899152 403606651 /nfs/dbraw/zinc/60/66/51/403606651.db2.gz UVDLMOAPXXTOJM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346899152 403606652 /nfs/dbraw/zinc/60/66/52/403606652.db2.gz UVDLMOAPXXTOJM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346899152 403606653 /nfs/dbraw/zinc/60/66/53/403606653.db2.gz UVDLMOAPXXTOJM-SJLPKXTDSA-N 2 2 320.481 2.328 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C#N)c1F ZINC000340920479 403697886 /nfs/dbraw/zinc/69/78/86/403697886.db2.gz RTHSQXDIHTZSIE-BRWVUGGUSA-N 2 2 317.408 2.381 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C#N)c1F ZINC000340920479 403697891 /nfs/dbraw/zinc/69/78/91/403697891.db2.gz RTHSQXDIHTZSIE-BRWVUGGUSA-N 2 2 317.408 2.381 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328687041 404129933 /nfs/dbraw/zinc/12/99/33/404129933.db2.gz GRKYSEHDZBYVPS-CABCVRRESA-N 2 2 317.437 2.130 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328687041 404129940 /nfs/dbraw/zinc/12/99/40/404129940.db2.gz GRKYSEHDZBYVPS-CABCVRRESA-N 2 2 317.437 2.130 20 30 DEEDLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000329701888 404428020 /nfs/dbraw/zinc/42/80/20/404428020.db2.gz HQEYXNITWSPFDE-AWEZNQCLSA-N 2 2 319.453 2.193 20 30 DEEDLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000329701888 404428022 /nfs/dbraw/zinc/42/80/22/404428022.db2.gz HQEYXNITWSPFDE-AWEZNQCLSA-N 2 2 319.453 2.193 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356563778 404595674 /nfs/dbraw/zinc/59/56/74/404595674.db2.gz NQOVRBGXCPBSIC-YESZJQIVSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356563778 404595681 /nfs/dbraw/zinc/59/56/81/404595681.db2.gz NQOVRBGXCPBSIC-YESZJQIVSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356563778 404595688 /nfs/dbraw/zinc/59/56/88/404595688.db2.gz NQOVRBGXCPBSIC-YESZJQIVSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356563778 404595694 /nfs/dbraw/zinc/59/56/94/404595694.db2.gz NQOVRBGXCPBSIC-YESZJQIVSA-N 2 2 307.482 2.264 20 30 DEEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000424128797 405015772 /nfs/dbraw/zinc/01/57/72/405015772.db2.gz CGIZOAUOGKFJSU-CYBMUJFWSA-N 2 2 321.450 2.089 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493582496 405545249 /nfs/dbraw/zinc/54/52/49/405545249.db2.gz JOUVZBPIRJYGOS-ZPIQOJFGSA-N 2 2 302.422 2.238 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC(C)(C)C#N)c2cc1C ZINC000433300376 405916549 /nfs/dbraw/zinc/91/65/49/405916549.db2.gz DVFIQBJMNVMKFV-HNNXBMFYSA-N 2 2 314.433 2.496 20 30 DEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC(C)(C)C#N)c2cc1C ZINC000433300376 405916554 /nfs/dbraw/zinc/91/65/54/405916554.db2.gz DVFIQBJMNVMKFV-HNNXBMFYSA-N 2 2 314.433 2.496 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000490678981 406481991 /nfs/dbraw/zinc/48/19/91/406481991.db2.gz QFCWMNXICSNXNI-UHFFFAOYSA-N 2 2 310.401 2.165 20 30 DEEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574098625 406779866 /nfs/dbraw/zinc/77/98/66/406779866.db2.gz ROSJAWOGRYCBGQ-CABCVRRESA-N 2 2 300.406 2.296 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nccn2C(F)F)cc1 ZINC000267526946 225362122 /nfs/dbraw/zinc/36/21/22/225362122.db2.gz IMSZMFHTPWQQIS-UHFFFAOYSA-N 2 2 323.347 2.177 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330998899 276036805 /nfs/dbraw/zinc/03/68/05/276036805.db2.gz PKKJMDGCVGKUBK-CPUCHLNUSA-N 2 2 317.437 2.032 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330998899 276036806 /nfs/dbraw/zinc/03/68/06/276036806.db2.gz PKKJMDGCVGKUBK-CPUCHLNUSA-N 2 2 317.437 2.032 20 30 DEEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCCCCC1 ZINC000262568322 295004818 /nfs/dbraw/zinc/00/48/18/295004818.db2.gz YJKCYMZQBCYRFJ-UHFFFAOYSA-N 2 2 306.479 2.297 20 30 DEEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCCCCC1 ZINC000262568322 295004823 /nfs/dbraw/zinc/00/48/23/295004823.db2.gz YJKCYMZQBCYRFJ-UHFFFAOYSA-N 2 2 306.479 2.297 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001377306455 1160177995 /nfs/dbraw/zinc/17/79/95/1160177995.db2.gz JYLSOUYAIUSARW-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001377306455 1160178016 /nfs/dbraw/zinc/17/80/16/1160178016.db2.gz JYLSOUYAIUSARW-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001377306455 1160178038 /nfs/dbraw/zinc/17/80/38/1160178038.db2.gz JYLSOUYAIUSARW-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001377306455 1160178052 /nfs/dbraw/zinc/17/80/52/1160178052.db2.gz JYLSOUYAIUSARW-CQSZACIVSA-N 2 2 301.862 2.050 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CCCC1 ZINC000262107193 526374404 /nfs/dbraw/zinc/37/44/04/526374404.db2.gz JTVDMLZGNUGWDA-ZDUSSCGKSA-N 2 2 306.479 2.166 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CCCC1 ZINC000262107193 526374408 /nfs/dbraw/zinc/37/44/08/526374408.db2.gz JTVDMLZGNUGWDA-ZDUSSCGKSA-N 2 2 306.479 2.166 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000370336658 526451446 /nfs/dbraw/zinc/45/14/46/526451446.db2.gz YIBQQCLIKKBCMB-UHFFFAOYSA-N 2 2 306.479 2.352 20 30 DEEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000342023052 526695451 /nfs/dbraw/zinc/69/54/51/526695451.db2.gz ASSFQFMEUBXQAU-HZPDHXFCSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000342023052 526695458 /nfs/dbraw/zinc/69/54/58/526695458.db2.gz ASSFQFMEUBXQAU-HZPDHXFCSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000342023051 526708006 /nfs/dbraw/zinc/70/80/06/526708006.db2.gz ASSFQFMEUBXQAU-HOTGVXAUSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000342023051 526708013 /nfs/dbraw/zinc/70/80/13/526708013.db2.gz ASSFQFMEUBXQAU-HOTGVXAUSA-N 2 2 307.482 2.216 20 30 DEEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970682339 623615405 /nfs/dbraw/zinc/61/54/05/623615405.db2.gz YLFIFRYESYRILP-CQSZACIVSA-N 2 2 310.401 2.108 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632632 623863089 /nfs/dbraw/zinc/86/30/89/623863089.db2.gz LRJXICQZYWJRPX-JKSUJKDBSA-N 2 2 324.428 2.447 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632632 623863099 /nfs/dbraw/zinc/86/30/99/623863099.db2.gz LRJXICQZYWJRPX-JKSUJKDBSA-N 2 2 324.428 2.447 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1csc(C#N)c1 ZINC000892233591 624859355 /nfs/dbraw/zinc/85/93/55/624859355.db2.gz GIPPRZPCWNUKRS-FVQBIDKESA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1csc(C#N)c1 ZINC000892233591 624859357 /nfs/dbraw/zinc/85/93/57/624859357.db2.gz GIPPRZPCWNUKRS-FVQBIDKESA-N 2 2 305.447 2.303 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024488749 625811095 /nfs/dbraw/zinc/81/10/95/625811095.db2.gz VCFCPOLYRAMVCF-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024488749 625811099 /nfs/dbraw/zinc/81/10/99/625811099.db2.gz VCFCPOLYRAMVCF-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024488749 625811105 /nfs/dbraw/zinc/81/11/05/625811105.db2.gz VCFCPOLYRAMVCF-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024488749 625811110 /nfs/dbraw/zinc/81/11/10/625811110.db2.gz VCFCPOLYRAMVCF-ARFHVFGLSA-N 2 2 316.449 2.450 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999386338 634580916 /nfs/dbraw/zinc/58/09/16/634580916.db2.gz WHVNANCVWRYHRP-WXRRBKDZSA-N 2 2 322.840 2.161 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996365376 633242704 /nfs/dbraw/zinc/24/27/04/633242704.db2.gz URDSELSOLMOAKK-CABCVRRESA-N 2 2 304.438 2.237 20 30 DEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000921585950 633736227 /nfs/dbraw/zinc/73/62/27/633736227.db2.gz HBCIGYMLFJVFOL-QGZVFWFLSA-N 2 2 301.434 2.112 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980145571 634861803 /nfs/dbraw/zinc/86/18/03/634861803.db2.gz RBNBZNTZRGSDMN-ARFHVFGLSA-N 2 2 324.428 2.351 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980145571 634861807 /nfs/dbraw/zinc/86/18/07/634861807.db2.gz RBNBZNTZRGSDMN-ARFHVFGLSA-N 2 2 324.428 2.351 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980235118 634904106 /nfs/dbraw/zinc/90/41/06/634904106.db2.gz ZOULYOCRFBQQCV-ARFHVFGLSA-N 2 2 316.449 2.053 20 30 DEEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000921753943 635134674 /nfs/dbraw/zinc/13/46/74/635134674.db2.gz HLVQPPBJNGPUOQ-ZDUSSCGKSA-N 2 2 305.447 2.210 20 30 DEEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000981241097 635397416 /nfs/dbraw/zinc/39/74/16/635397416.db2.gz CEZPXDQHXLLOGT-DLBZAZTESA-N 2 2 322.412 2.136 20 30 DEEDLP C#CCC[NH+]1CCC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001001408476 635489061 /nfs/dbraw/zinc/48/90/61/635489061.db2.gz QLDWABBEESDLGH-UHFFFAOYSA-N 2 2 324.428 2.108 20 30 DEEDLP CC#CC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001005394370 636731548 /nfs/dbraw/zinc/73/15/48/636731548.db2.gz DJTBJIAPAXBWCA-UHFFFAOYSA-N 2 2 324.428 2.202 20 30 DEEDLP CC1=NO[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000895307305 637915419 /nfs/dbraw/zinc/91/54/19/637915419.db2.gz PLZYVYNBTSXKGG-SFHVURJKSA-N 2 2 312.417 2.277 20 30 DEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000985678437 639577856 /nfs/dbraw/zinc/57/78/56/639577856.db2.gz XFMDPAMREZEBMT-HNNXBMFYSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000985678437 639577860 /nfs/dbraw/zinc/57/78/60/639577860.db2.gz XFMDPAMREZEBMT-HNNXBMFYSA-N 2 2 304.438 2.333 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCc2cscn2)cc1 ZINC000842036295 650631494 /nfs/dbraw/zinc/63/14/94/650631494.db2.gz KVBUWVDTOMIIQQ-UHFFFAOYSA-N 2 2 304.419 2.084 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775386748 642037748 /nfs/dbraw/zinc/03/77/48/642037748.db2.gz UDVZQSGUVOFFDU-LNLFQRSKSA-N 2 2 311.429 2.388 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775386748 642037753 /nfs/dbraw/zinc/03/77/53/642037753.db2.gz UDVZQSGUVOFFDU-LNLFQRSKSA-N 2 2 311.429 2.388 20 30 DEEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775571109 642059943 /nfs/dbraw/zinc/05/99/43/642059943.db2.gz AIVWFNZLQPWERM-UXHICEINSA-N 2 2 312.457 2.464 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCO)C3CC3)CC2)cc1 ZINC000776165637 642137980 /nfs/dbraw/zinc/13/79/80/642137980.db2.gz UFVDBPZDWFBAJO-IBGZPJMESA-N 2 2 313.445 2.273 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)C3CC3)CC2)cc1 ZINC000776165638 642138002 /nfs/dbraw/zinc/13/80/02/642138002.db2.gz UFVDBPZDWFBAJO-LJQANCHMSA-N 2 2 313.445 2.273 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCc2ccns2)cc1 ZINC000902280446 642978542 /nfs/dbraw/zinc/97/85/42/642978542.db2.gz FPPASKPXVAOXAB-UHFFFAOYSA-N 2 2 304.419 2.084 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121952 644773994 /nfs/dbraw/zinc/77/39/94/644773994.db2.gz VBXDGGIIQVCFSY-DEICHXMPSA-N 2 2 314.433 2.203 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121952 644773996 /nfs/dbraw/zinc/77/39/96/644773996.db2.gz VBXDGGIIQVCFSY-DEICHXMPSA-N 2 2 314.433 2.203 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121952 644773997 /nfs/dbraw/zinc/77/39/97/644773997.db2.gz VBXDGGIIQVCFSY-DEICHXMPSA-N 2 2 314.433 2.203 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121952 644773998 /nfs/dbraw/zinc/77/39/98/644773998.db2.gz VBXDGGIIQVCFSY-DEICHXMPSA-N 2 2 314.433 2.203 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947313720 646505480 /nfs/dbraw/zinc/50/54/80/646505480.db2.gz CERCPWKIXIZHFF-RHSMWYFYSA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947313720 646505482 /nfs/dbraw/zinc/50/54/82/646505482.db2.gz CERCPWKIXIZHFF-RHSMWYFYSA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992446235 647012282 /nfs/dbraw/zinc/01/22/82/647012282.db2.gz MEMJMEIDCXPUID-SJLPKXTDSA-N 2 2 316.449 2.340 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992446235 647012286 /nfs/dbraw/zinc/01/22/86/647012286.db2.gz MEMJMEIDCXPUID-SJLPKXTDSA-N 2 2 316.449 2.340 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000992721862 647197077 /nfs/dbraw/zinc/19/70/77/647197077.db2.gz QCJFRHLGZQZCQX-USXIJHARSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000992721862 647197078 /nfs/dbraw/zinc/19/70/78/647197078.db2.gz QCJFRHLGZQZCQX-USXIJHARSA-N 2 2 316.449 2.135 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993346724 647623243 /nfs/dbraw/zinc/62/32/43/647623243.db2.gz HFJRYLQRQVXDTG-NVXWUHKLSA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993346724 647623246 /nfs/dbraw/zinc/62/32/46/647623246.db2.gz HFJRYLQRQVXDTG-NVXWUHKLSA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154388013 647996291 /nfs/dbraw/zinc/99/62/91/647996291.db2.gz OIDZKBBIWJCFOU-HIFRSBDPSA-N 2 2 312.841 2.391 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621577 648907314 /nfs/dbraw/zinc/90/73/14/648907314.db2.gz UFWUZMYSQCZSMY-ZIAGYGMSSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621577 648907315 /nfs/dbraw/zinc/90/73/15/648907315.db2.gz UFWUZMYSQCZSMY-ZIAGYGMSSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621577 648907317 /nfs/dbraw/zinc/90/73/17/648907317.db2.gz UFWUZMYSQCZSMY-ZIAGYGMSSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621577 648907320 /nfs/dbraw/zinc/90/73/20/648907320.db2.gz UFWUZMYSQCZSMY-ZIAGYGMSSA-N 2 2 313.873 2.050 20 30 DEEDLP CCOc1ccc(/C=N/CC[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000849170866 651616174 /nfs/dbraw/zinc/61/61/74/651616174.db2.gz WHIXLDNTCDOFQN-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP CCOc1ccc(/C=N/CC[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000849170866 651616177 /nfs/dbraw/zinc/61/61/77/651616177.db2.gz WHIXLDNTCDOFQN-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP CCOc1ccc(/C=[NH+]/CCN(C)CCC[NH+](C)C)c(O)c1 ZINC000849170866 651616178 /nfs/dbraw/zinc/61/61/78/651616178.db2.gz WHIXLDNTCDOFQN-NBVRZTHBSA-N 2 2 307.438 2.093 20 30 DEEDLP CCOc1ccc(/C=N/[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000849169360 651616358 /nfs/dbraw/zinc/61/63/58/651616358.db2.gz BKZIKKMVQDDQDE-SJPXOZHESA-N 2 2 321.465 2.482 20 30 DEEDLP CCOc1ccc(/C=N/[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000849169360 651616360 /nfs/dbraw/zinc/61/63/60/651616360.db2.gz BKZIKKMVQDDQDE-SJPXOZHESA-N 2 2 321.465 2.482 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123711 693854679 /nfs/dbraw/zinc/85/46/79/693854679.db2.gz BBSIGVFLIPLBSF-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123711 693854682 /nfs/dbraw/zinc/85/46/82/693854682.db2.gz BBSIGVFLIPLBSF-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C[N@H+](CCNC(=[NH2+])NCCc1ccccc1)Cc1ccccc1 ZINC000303869836 685236741 /nfs/dbraw/zinc/23/67/41/685236741.db2.gz FDKPATXVSUFZGG-UHFFFAOYSA-N 2 2 310.445 2.265 20 30 DEEDLP C[N@@H+](CCNC(=[NH2+])NCCc1ccccc1)Cc1ccccc1 ZINC000303869836 685236745 /nfs/dbraw/zinc/23/67/45/685236745.db2.gz FDKPATXVSUFZGG-UHFFFAOYSA-N 2 2 310.445 2.265 20 30 DEEDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1O ZINC000866261923 687513344 /nfs/dbraw/zinc/51/33/44/687513344.db2.gz AUIGFABKCUDJCM-GOEBONIOSA-N 2 2 317.433 2.151 20 30 DEEDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1O ZINC000866261923 687513349 /nfs/dbraw/zinc/51/33/49/687513349.db2.gz AUIGFABKCUDJCM-GOEBONIOSA-N 2 2 317.433 2.151 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017618947 687925637 /nfs/dbraw/zinc/92/56/37/687925637.db2.gz WNBHBCWADUUFMO-OWCLPIDISA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017618947 687925639 /nfs/dbraw/zinc/92/56/39/687925639.db2.gz WNBHBCWADUUFMO-OWCLPIDISA-N 2 2 314.433 2.012 20 30 DEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231615 690067891 /nfs/dbraw/zinc/06/78/91/690067891.db2.gz PDXBZQICIMTAKI-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231615 690067893 /nfs/dbraw/zinc/06/78/93/690067893.db2.gz PDXBZQICIMTAKI-MRXNPFEDSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035230934 690068241 /nfs/dbraw/zinc/06/82/41/690068241.db2.gz GEFPMBOEEPWSSS-UHFFFAOYSA-N 2 2 322.840 2.019 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035230934 690068244 /nfs/dbraw/zinc/06/82/44/690068244.db2.gz GEFPMBOEEPWSSS-UHFFFAOYSA-N 2 2 322.840 2.019 20 30 DEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231610 690068264 /nfs/dbraw/zinc/06/82/64/690068264.db2.gz PDXBZQICIMTAKI-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231610 690068269 /nfs/dbraw/zinc/06/82/69/690068269.db2.gz PDXBZQICIMTAKI-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000878402719 690398291 /nfs/dbraw/zinc/39/82/91/690398291.db2.gz PBZLORXRUOPVPD-INIZCTEOSA-N 2 2 305.422 2.493 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785400 690473922 /nfs/dbraw/zinc/47/39/22/690473922.db2.gz FDOADIHVSJGXTR-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785400 690473924 /nfs/dbraw/zinc/47/39/24/690473924.db2.gz FDOADIHVSJGXTR-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001037889954 690633973 /nfs/dbraw/zinc/63/39/73/690633973.db2.gz HFMWVQAOVNEBSJ-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CC ZINC001037968076 690652443 /nfs/dbraw/zinc/65/24/43/690652443.db2.gz LMRWXWMGEILHCM-CABCVRRESA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253349 691070126 /nfs/dbraw/zinc/07/01/26/691070126.db2.gz DJIYIRJSJBPNRL-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253349 691070128 /nfs/dbraw/zinc/07/01/28/691070128.db2.gz DJIYIRJSJBPNRL-IAGOWNOFSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445855 691107762 /nfs/dbraw/zinc/10/77/62/691107762.db2.gz JSKXRIIJVGQUTF-OAGGEKHMSA-N 2 2 302.422 2.086 20 30 DEEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445855 691107764 /nfs/dbraw/zinc/10/77/64/691107764.db2.gz JSKXRIIJVGQUTF-OAGGEKHMSA-N 2 2 302.422 2.086 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445695 691107926 /nfs/dbraw/zinc/10/79/26/691107926.db2.gz DDCSKTSGANNCNO-ZACQAIPSSA-N 2 2 316.449 2.476 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445695 691107928 /nfs/dbraw/zinc/10/79/28/691107928.db2.gz DDCSKTSGANNCNO-ZACQAIPSSA-N 2 2 316.449 2.476 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460405 691110645 /nfs/dbraw/zinc/11/06/45/691110645.db2.gz OLSXMJJJMJDINJ-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460405 691110647 /nfs/dbraw/zinc/11/06/47/691110647.db2.gz OLSXMJJJMJDINJ-CABCVRRESA-N 2 2 316.449 2.329 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000883131791 691436685 /nfs/dbraw/zinc/43/66/85/691436685.db2.gz SJPGJFXPLIZJLQ-UHFFFAOYSA-N 2 2 300.381 2.056 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000883131791 691436688 /nfs/dbraw/zinc/43/66/88/691436688.db2.gz SJPGJFXPLIZJLQ-UHFFFAOYSA-N 2 2 300.381 2.056 20 30 DEEDLP C=CCC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001045501409 691989660 /nfs/dbraw/zinc/98/96/60/691989660.db2.gz YTINZLOMOCXEFK-UHFFFAOYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001402618066 1162412610 /nfs/dbraw/zinc/41/26/10/1162412610.db2.gz KLJGCPJLBSYWGX-OAHLLOKOSA-N 2 2 324.856 2.387 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001402618066 1162412613 /nfs/dbraw/zinc/41/26/13/1162412613.db2.gz KLJGCPJLBSYWGX-OAHLLOKOSA-N 2 2 324.856 2.387 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001370971341 1155659677 /nfs/dbraw/zinc/65/96/77/1155659677.db2.gz XLPVUPOPKIZIKH-CYBMUJFWSA-N 2 2 324.856 2.411 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001403237336 1162824756 /nfs/dbraw/zinc/82/47/56/1162824756.db2.gz DMRMZLCNHUQTIE-AWEZNQCLSA-N 2 2 312.845 2.098 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001403287708 1162839287 /nfs/dbraw/zinc/83/92/87/1162839287.db2.gz NICWQKODBVAGAB-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001403287708 1162839288 /nfs/dbraw/zinc/83/92/88/1162839288.db2.gz NICWQKODBVAGAB-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001403287708 1162839289 /nfs/dbraw/zinc/83/92/89/1162839289.db2.gz NICWQKODBVAGAB-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001403287708 1162839290 /nfs/dbraw/zinc/83/92/90/1162839290.db2.gz NICWQKODBVAGAB-OAHLLOKOSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001392656574 1157302376 /nfs/dbraw/zinc/30/23/76/1157302376.db2.gz DETWVZYXWIWEMX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001392656574 1157302384 /nfs/dbraw/zinc/30/23/84/1157302384.db2.gz DETWVZYXWIWEMX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001392656574 1157302393 /nfs/dbraw/zinc/30/23/93/1157302393.db2.gz DETWVZYXWIWEMX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001392656574 1157302398 /nfs/dbraw/zinc/30/23/98/1157302398.db2.gz DETWVZYXWIWEMX-UONOGXRCSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377398293 1160327627 /nfs/dbraw/zinc/32/76/27/1160327627.db2.gz MYZIISZXDSOXDQ-CQSZACIVSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377398293 1160327633 /nfs/dbraw/zinc/32/76/33/1160327633.db2.gz MYZIISZXDSOXDQ-CQSZACIVSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001401298088 1161919030 /nfs/dbraw/zinc/91/90/30/1161919030.db2.gz KQCWRNKWCRTSIS-ZFWWWQNUSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001401791289 1162133042 /nfs/dbraw/zinc/13/30/42/1162133042.db2.gz FFILGOWRBZYTDF-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001401791289 1162133045 /nfs/dbraw/zinc/13/30/45/1162133045.db2.gz FFILGOWRBZYTDF-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001401791289 1162133048 /nfs/dbraw/zinc/13/30/48/1162133048.db2.gz FFILGOWRBZYTDF-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001401791289 1162133051 /nfs/dbraw/zinc/13/30/51/1162133051.db2.gz FFILGOWRBZYTDF-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001403874247 1163261843 /nfs/dbraw/zinc/26/18/43/1163261843.db2.gz GNNNIUJMATYRDS-OAHLLOKOSA-N 2 2 315.889 2.299 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001403874247 1163261854 /nfs/dbraw/zinc/26/18/54/1163261854.db2.gz GNNNIUJMATYRDS-OAHLLOKOSA-N 2 2 315.889 2.299 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001403874247 1163261862 /nfs/dbraw/zinc/26/18/62/1163261862.db2.gz GNNNIUJMATYRDS-OAHLLOKOSA-N 2 2 315.889 2.299 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001418128932 1167430200 /nfs/dbraw/zinc/43/02/00/1167430200.db2.gz NNITXLGXBICUPV-CABCVRRESA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001418128932 1167430206 /nfs/dbraw/zinc/43/02/06/1167430206.db2.gz NNITXLGXBICUPV-CABCVRRESA-N 2 2 324.856 2.415 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001425313673 1174284132 /nfs/dbraw/zinc/28/41/32/1174284132.db2.gz WKODZYYFTZFYRV-UONOGXRCSA-N 2 2 315.889 2.152 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001441638451 1182105172 /nfs/dbraw/zinc/10/51/72/1182105172.db2.gz CZGUZUWKCJIIII-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001441638451 1182105176 /nfs/dbraw/zinc/10/51/76/1182105176.db2.gz CZGUZUWKCJIIII-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001441638451 1182105180 /nfs/dbraw/zinc/10/51/80/1182105180.db2.gz CZGUZUWKCJIIII-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001441638451 1182105187 /nfs/dbraw/zinc/10/51/87/1182105187.db2.gz CZGUZUWKCJIIII-HUUCEWRRSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001446425825 1184345431 /nfs/dbraw/zinc/34/54/31/1184345431.db2.gz WRWHHPOIKJVXGI-LSDHHAIUSA-N 2 2 324.856 2.385 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569360 783218443 /nfs/dbraw/zinc/21/84/43/783218443.db2.gz YCRUJPZFWMTRBO-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089569360 783218451 /nfs/dbraw/zinc/21/84/51/783218451.db2.gz YCRUJPZFWMTRBO-HNNXBMFYSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104412602 777340089 /nfs/dbraw/zinc/34/00/89/777340089.db2.gz CTLKIQUCTRAGNE-HUUCEWRRSA-N 2 2 312.417 2.208 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087310306 777768169 /nfs/dbraw/zinc/76/81/69/777768169.db2.gz ULVVXDSRGDQKJW-KBRIMQKVSA-N 2 2 316.449 2.134 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087310306 777768176 /nfs/dbraw/zinc/76/81/76/777768176.db2.gz ULVVXDSRGDQKJW-KBRIMQKVSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380472 780046085 /nfs/dbraw/zinc/04/60/85/780046085.db2.gz IPECLJZPEASGSC-GJZGRUSLSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248463 783603446 /nfs/dbraw/zinc/60/34/46/783603446.db2.gz LGMJKPVIOJATCJ-DJIMGWMZSA-N 2 2 316.449 2.039 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085327641 783640915 /nfs/dbraw/zinc/64/09/15/783640915.db2.gz WOXDIDYTZOPONS-BFHYXJOUSA-N 2 2 302.422 2.033 20 30 DEEDLP 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QEOWQQLLMWIROP-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP Cc1c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000182081262 199384815 /nfs/dbraw/zinc/38/48/15/199384815.db2.gz QALUECJVPCLTOV-UHFFFAOYSA-N 2 2 323.444 2.354 20 30 DEEDLP Cn1cncc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289698459 356376857 /nfs/dbraw/zinc/37/68/57/356376857.db2.gz INFJDDBKEJTHHC-UHFFFAOYSA-N 2 2 309.417 2.046 20 30 DEEDLP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323577 358054454 /nfs/dbraw/zinc/05/44/54/358054454.db2.gz QHIUJTQYVHAEOK-GJZGRUSLSA-N 3 2 300.450 2.238 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000594521524 358288914 /nfs/dbraw/zinc/28/89/14/358288914.db2.gz SHFXUTKXERLWHN-MRXNPFEDSA-N 2 2 303.381 2.040 20 30 DEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1(CO)CC1 ZINC000594969487 358371344 /nfs/dbraw/zinc/37/13/44/358371344.db2.gz PWAQLIXVZSURTR-OAHLLOKOSA-N 2 2 313.445 2.273 20 30 DEEDLP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@H+](C)Cc1ccccc1 ZINC000598719345 359304067 /nfs/dbraw/zinc/30/40/67/359304067.db2.gz JLKNFCCYHVCXQN-WBVHZDCISA-N 2 2 303.450 2.397 20 30 DEEDLP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000598719345 359304070 /nfs/dbraw/zinc/30/40/70/359304070.db2.gz JLKNFCCYHVCXQN-WBVHZDCISA-N 2 2 303.450 2.397 20 30 DEEDLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000187677979 200143570 /nfs/dbraw/zinc/14/35/70/200143570.db2.gz AMWGMEPFXGYHCS-ROUUACIJSA-N 2 2 313.445 2.272 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H](O)C3)CC2)cc1 ZINC000189279731 200374668 /nfs/dbraw/zinc/37/46/68/200374668.db2.gz YNIFWDYBXAFFDI-IEBWSBKVSA-N 2 2 313.445 2.273 20 30 DEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000602565098 360435875 /nfs/dbraw/zinc/43/58/75/360435875.db2.gz PNYBLQPTGSFAIX-GOEBONIOSA-N 2 2 311.495 2.112 20 30 DEEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000292866937 223282256 /nfs/dbraw/zinc/28/22/56/223282256.db2.gz VWLHBWNXVJTBJN-MRXNPFEDSA-N 2 2 319.368 2.254 20 30 DEEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000292866937 223282258 /nfs/dbraw/zinc/28/22/58/223282258.db2.gz VWLHBWNXVJTBJN-MRXNPFEDSA-N 2 2 319.368 2.254 20 30 DEEDLP C=C(C)COCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119816991 195042989 /nfs/dbraw/zinc/04/29/89/195042989.db2.gz YJOCJMGLIHCEML-UHFFFAOYSA-N 2 2 310.361 2.215 20 30 DEEDLP CCOCCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000127812974 401750942 /nfs/dbraw/zinc/75/09/42/401750942.db2.gz VWRDAVZKQAEUMX-UHFFFAOYSA-N 2 2 305.422 2.346 20 30 DEEDLP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186498877 402436064 /nfs/dbraw/zinc/43/60/64/402436064.db2.gz FODQCAHMJMWFMA-LSTKMXGYSA-N 2 2 313.445 2.439 20 30 DEEDLP COC[C@H](C)O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000178309113 402483627 /nfs/dbraw/zinc/48/36/27/402483627.db2.gz OJOJLUHUOPHJFO-AWEZNQCLSA-N 2 2 305.422 2.344 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000171729124 402615794 /nfs/dbraw/zinc/61/57/94/402615794.db2.gz QHBNYBMHDPUWFH-UHFFFAOYSA-N 2 2 312.417 2.034 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965706 403003851 /nfs/dbraw/zinc/00/38/51/403003851.db2.gz YHSBJXLYRANCAA-DZGCQCFKSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965706 403003854 /nfs/dbraw/zinc/00/38/54/403003854.db2.gz YHSBJXLYRANCAA-DZGCQCFKSA-N 2 2 323.400 2.488 20 30 DEEDLP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281634003 403077157 /nfs/dbraw/zinc/07/71/57/403077157.db2.gz IMVGZNAWQUMVQG-GJZGRUSLSA-N 2 2 317.433 2.156 20 30 DEEDLP C=C(C)CNC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277178908 403197970 /nfs/dbraw/zinc/19/79/70/403197970.db2.gz CJYPPVHKCXZGKK-INIZCTEOSA-N 2 2 318.490 2.084 20 30 DEEDLP C=C(C)CNC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277178908 403197972 /nfs/dbraw/zinc/19/79/72/403197972.db2.gz CJYPPVHKCXZGKK-INIZCTEOSA-N 2 2 318.490 2.084 20 30 DEEDLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341267450 403875178 /nfs/dbraw/zinc/87/51/78/403875178.db2.gz BXNCOJSPTKHYBN-GJZGRUSLSA-N 2 2 301.434 2.272 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344115024 403918160 /nfs/dbraw/zinc/91/81/60/403918160.db2.gz MBYAPOCKMFWUKR-DLBZAZTESA-N 2 2 307.482 2.265 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344115024 403918164 /nfs/dbraw/zinc/91/81/64/403918164.db2.gz MBYAPOCKMFWUKR-DLBZAZTESA-N 2 2 307.482 2.265 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000295690852 404006036 /nfs/dbraw/zinc/00/60/36/404006036.db2.gz DJTDJHLMKMKRHT-RRFJBIMHSA-N 2 2 300.406 2.293 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000295690852 404006044 /nfs/dbraw/zinc/00/60/44/404006044.db2.gz DJTDJHLMKMKRHT-RRFJBIMHSA-N 2 2 300.406 2.293 20 30 DEEDLP N#CC1(F)CC[NH+](C/C=C/C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352464874 404389414 /nfs/dbraw/zinc/38/94/14/404389414.db2.gz YJSZZVNTRMEMRM-OWOJBTEDSA-N 2 2 308.376 2.198 20 30 DEEDLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000330155727 404569392 /nfs/dbraw/zinc/56/93/92/404569392.db2.gz YLQBIXHSSZJJHB-UHFFFAOYSA-N 2 2 319.453 2.056 20 30 DEEDLP CC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424145013 405021063 /nfs/dbraw/zinc/02/10/63/405021063.db2.gz YGAXUJKBEAPXRY-MRXNPFEDSA-N 2 2 302.422 2.040 20 30 DEEDLP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424145013 405021069 /nfs/dbraw/zinc/02/10/69/405021069.db2.gz YGAXUJKBEAPXRY-MRXNPFEDSA-N 2 2 302.422 2.040 20 30 DEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC1 ZINC000361681245 405196213 /nfs/dbraw/zinc/19/62/13/405196213.db2.gz ISPABPBIYBBACG-CYBMUJFWSA-N 2 2 319.840 2.187 20 30 DEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC1 ZINC000361681245 405196217 /nfs/dbraw/zinc/19/62/17/405196217.db2.gz ISPABPBIYBBACG-CYBMUJFWSA-N 2 2 319.840 2.187 20 30 DEEDLP C[N@H+](C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343900 405861815 /nfs/dbraw/zinc/86/18/15/405861815.db2.gz RNFCJUONJCKOOI-LJQANCHMSA-N 2 2 311.429 2.102 20 30 DEEDLP C[N@@H+](C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343900 405861819 /nfs/dbraw/zinc/86/18/19/405861819.db2.gz RNFCJUONJCKOOI-LJQANCHMSA-N 2 2 311.429 2.102 20 30 DEEDLP C[NH+](C[C@@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343900 405861829 /nfs/dbraw/zinc/86/18/29/405861829.db2.gz RNFCJUONJCKOOI-LJQANCHMSA-N 2 2 311.429 2.102 20 30 DEEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2)CC1 ZINC000560702261 405863271 /nfs/dbraw/zinc/86/32/71/405863271.db2.gz QQNHBXFELGKWQE-IBGZPJMESA-N 2 2 324.428 2.230 20 30 DEEDLP O[C@@]1(C[NH2+]CC#Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634698563 406230512 /nfs/dbraw/zinc/23/05/12/406230512.db2.gz PZLAPBBCXGPLAV-OAQYLSRUSA-N 2 2 320.436 2.265 20 30 DEEDLP O[C@@]1(C[NH2+]CC#Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698563 406230519 /nfs/dbraw/zinc/23/05/19/406230519.db2.gz PZLAPBBCXGPLAV-OAQYLSRUSA-N 2 2 320.436 2.265 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000569902125 406317293 /nfs/dbraw/zinc/31/72/93/406317293.db2.gz PMSYEDQIBKZFPJ-DZGCQCFKSA-N 2 2 317.437 2.229 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017366 406357653 /nfs/dbraw/zinc/35/76/53/406357653.db2.gz FLSAAYBMYAQLLQ-INIZCTEOSA-N 2 2 307.482 2.382 20 30 DEEDLP Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000574151782 406779469 /nfs/dbraw/zinc/77/94/69/406779469.db2.gz RRDGVGBXLRLPAR-KRWDZBQOSA-N 2 2 316.449 2.214 20 30 DEEDLP Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000574151782 406779475 /nfs/dbraw/zinc/77/94/75/406779475.db2.gz RRDGVGBXLRLPAR-KRWDZBQOSA-N 2 2 316.449 2.214 20 30 DEEDLP CN1CC[NH+]=C1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000262686219 225282431 /nfs/dbraw/zinc/28/24/31/225282431.db2.gz YMCNBNAEZWDNQD-ZDUSSCGKSA-N 2 2 314.355 2.199 20 30 DEEDLP [NH2+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC1CCC1 ZINC000263205444 225293401 /nfs/dbraw/zinc/29/34/01/225293401.db2.gz YBBKCPSGLGSGTB-UHFFFAOYSA-N 2 2 303.797 2.483 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834851323 649854339 /nfs/dbraw/zinc/85/43/39/649854339.db2.gz WTUDACIWWOKRLX-SJLPKXTDSA-N 2 2 316.445 2.196 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000834851323 649854342 /nfs/dbraw/zinc/85/43/42/649854342.db2.gz WTUDACIWWOKRLX-SJLPKXTDSA-N 2 2 316.445 2.196 20 30 DEEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662660465 425706033 /nfs/dbraw/zinc/70/60/33/425706033.db2.gz XHTDFAFVMCAICT-LJQANCHMSA-N 2 2 313.445 2.029 20 30 DEEDLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000192787213 289882390 /nfs/dbraw/zinc/88/23/90/289882390.db2.gz MDJKLTUUSMKLQK-NVXWUHKLSA-N 3 2 304.482 2.217 20 30 DEEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001328288319 1148766555 /nfs/dbraw/zinc/76/65/55/1148766555.db2.gz ZEXHWDAFPZDJMB-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001328288319 1148766561 /nfs/dbraw/zinc/76/65/61/1148766561.db2.gz ZEXHWDAFPZDJMB-HZPDHXFCSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000518287764 332006969 /nfs/dbraw/zinc/00/69/69/332006969.db2.gz IOWVGKCCHKVJHB-UHFFFAOYSA-N 2 2 315.465 2.207 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378398603 1152317441 /nfs/dbraw/zinc/31/74/41/1152317441.db2.gz KMDDMLURMILOMS-BDJLRTHQSA-N 2 2 324.856 2.215 20 30 DEEDLP C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370699762 534457123 /nfs/dbraw/zinc/45/71/23/534457123.db2.gz MGEGHMDWSSMAAX-SJORKVTESA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370699762 534457128 /nfs/dbraw/zinc/45/71/28/534457128.db2.gz MGEGHMDWSSMAAX-SJORKVTESA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370699758 534458090 /nfs/dbraw/zinc/45/80/90/534458090.db2.gz MGEGHMDWSSMAAX-IAGOWNOFSA-N 2 2 306.498 2.274 20 30 DEEDLP C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370699758 534458095 /nfs/dbraw/zinc/45/80/95/534458095.db2.gz MGEGHMDWSSMAAX-IAGOWNOFSA-N 2 2 306.498 2.274 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@H]1C ZINC000262696549 526375321 /nfs/dbraw/zinc/37/53/21/526375321.db2.gz DXLGIEGJRCHLIN-DYEKYZERSA-N 2 2 306.479 2.068 20 30 DEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@H]1C[C@H]1C ZINC000262696549 526375327 /nfs/dbraw/zinc/37/53/27/526375327.db2.gz DXLGIEGJRCHLIN-DYEKYZERSA-N 2 2 306.479 2.068 20 30 DEEDLP C=C(Cl)CNC(=[NH+]CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261967903 526884654 /nfs/dbraw/zinc/88/46/54/526884654.db2.gz LXROZSKHOOGMRH-GXTWGEPZSA-N 2 2 309.845 2.484 20 30 DEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000330703320 528324639 /nfs/dbraw/zinc/32/46/39/528324639.db2.gz IYQIRYMMUHQLGG-CYBMUJFWSA-N 2 2 321.469 2.156 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000264091441 529176198 /nfs/dbraw/zinc/17/61/98/529176198.db2.gz KYXBNWBGMBXQKJ-QGZVFWFLSA-N 2 2 318.465 2.332 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274498 625318862 /nfs/dbraw/zinc/31/88/62/625318862.db2.gz ZFHLQJQVTWSAMP-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274498 625318866 /nfs/dbraw/zinc/31/88/66/625318866.db2.gz ZFHLQJQVTWSAMP-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459799 625453095 /nfs/dbraw/zinc/45/30/95/625453095.db2.gz SQOQZIRHGKJIKA-CABCVRRESA-N 2 2 324.428 2.417 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459799 625453098 /nfs/dbraw/zinc/45/30/98/625453098.db2.gz SQOQZIRHGKJIKA-CABCVRRESA-N 2 2 324.428 2.417 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001026509148 625490406 /nfs/dbraw/zinc/49/04/06/625490406.db2.gz BRZCBOZFRNZBBM-NEXFUWMNSA-N 2 2 302.422 2.106 20 30 DEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001026509148 625490408 /nfs/dbraw/zinc/49/04/08/625490408.db2.gz BRZCBOZFRNZBBM-NEXFUWMNSA-N 2 2 302.422 2.106 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602441 623814140 /nfs/dbraw/zinc/81/41/40/623814140.db2.gz HMTMOASPBIFVQR-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602441 623814149 /nfs/dbraw/zinc/81/41/49/623814149.db2.gz HMTMOASPBIFVQR-NVXWUHKLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602441 623814158 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CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(C)CC1 ZINC000073461054 637459338 /nfs/dbraw/zinc/45/93/38/637459338.db2.gz KHHNAHHLTGPPCN-UHFFFAOYSA-N 2 2 317.481 2.459 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000986287210 639870254 /nfs/dbraw/zinc/87/02/54/639870254.db2.gz KKAYWAMUGMXZLW-GOEBONIOSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000986541500 639924637 /nfs/dbraw/zinc/92/46/37/639924637.db2.gz AQHJIQNBAQARMX-STQMWFEESA-N 2 2 318.808 2.279 20 30 DEEDLP CCCC[N@H+](C)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758223411 639930657 /nfs/dbraw/zinc/93/06/57/639930657.db2.gz OXLZQQKMTHFYGX-UHFFFAOYSA-N 2 2 316.449 2.121 20 30 DEEDLP CCCC[N@@H+](C)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758223411 639930659 /nfs/dbraw/zinc/93/06/59/639930659.db2.gz OXLZQQKMTHFYGX-UHFFFAOYSA-N 2 2 316.449 2.121 20 30 DEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000986608671 639953345 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DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314533 646515491 /nfs/dbraw/zinc/51/54/91/646515491.db2.gz GUJLAWMXLVEYSU-YOEHRIQHSA-N 2 2 324.428 2.249 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913712015 647018110 /nfs/dbraw/zinc/01/81/10/647018110.db2.gz MHBDEUVLXFQBDF-UHFFFAOYSA-N 2 2 312.417 2.174 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000817974624 647397800 /nfs/dbraw/zinc/39/78/00/647397800.db2.gz MXBJQRVOXCONPR-MAUKXSAKSA-N 2 2 302.418 2.118 20 30 DEEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000817982556 647399281 /nfs/dbraw/zinc/39/92/81/647399281.db2.gz FQACDHBROHMYCO-BBRMVZONSA-N 2 2 310.825 2.457 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000939449232 648653405 /nfs/dbraw/zinc/65/34/05/648653405.db2.gz WWQUQCZQBMLWBK-CRAIPNDOSA-N 2 2 324.428 2.499 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053853 649145101 /nfs/dbraw/zinc/14/51/01/649145101.db2.gz UYRUQAIAERJBPZ-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053853 649145103 /nfs/dbraw/zinc/14/51/03/649145103.db2.gz UYRUQAIAERJBPZ-RHSMWYFYSA-N 2 2 324.428 2.106 20 30 DEEDLP COc1cccc(O)c1/C=N\[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849170288 651616409 /nfs/dbraw/zinc/61/64/09/651616409.db2.gz NJWVOEFYVSTIJI-HIXWQLQUSA-N 2 2 307.438 2.092 20 30 DEEDLP COc1cccc(O)c1/C=N\[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849170288 651616414 /nfs/dbraw/zinc/61/64/14/651616414.db2.gz NJWVOEFYVSTIJI-HIXWQLQUSA-N 2 2 307.438 2.092 20 30 DEEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1CCC1 ZINC000104178813 684059275 /nfs/dbraw/zinc/05/92/75/684059275.db2.gz GWTAOGFMZZTFDW-UHFFFAOYSA-N 2 2 301.369 2.216 20 30 DEEDLP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866387338 687556492 /nfs/dbraw/zinc/55/64/92/687556492.db2.gz RFFUOXYZDDTOBQ-LSDHHAIUSA-N 2 2 318.465 2.186 20 30 DEEDLP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016686626 687682444 /nfs/dbraw/zinc/68/24/44/687682444.db2.gz CJNDGBPGMPGUEZ-KRWDZBQOSA-N 2 2 322.412 2.171 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016725154 687691277 /nfs/dbraw/zinc/69/12/77/687691277.db2.gz FEURUIJWTUCXOT-HNNXBMFYSA-N 2 2 310.401 2.105 20 30 DEEDLP C=CC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001026494353 688528667 /nfs/dbraw/zinc/52/86/67/688528667.db2.gz LMBHRNMKBLAJOX-UHFFFAOYSA-N 2 2 312.417 2.459 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712411 689233388 /nfs/dbraw/zinc/23/33/88/689233388.db2.gz YHXDYIVECXGTPE-ROUUACIJSA-N 2 2 322.412 2.347 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712411 689233392 /nfs/dbraw/zinc/23/33/92/689233392.db2.gz YHXDYIVECXGTPE-ROUUACIJSA-N 2 2 322.412 2.347 20 30 DEEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033832836 689630708 /nfs/dbraw/zinc/63/07/08/689630708.db2.gz LUXZECBZHDFCEP-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033832836 689630709 /nfs/dbraw/zinc/63/07/09/689630709.db2.gz LUXZECBZHDFCEP-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033866477 689644497 /nfs/dbraw/zinc/64/44/97/689644497.db2.gz ZRIBVYMTMHIZDP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033866477 689644499 /nfs/dbraw/zinc/64/44/99/689644499.db2.gz ZRIBVYMTMHIZDP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033866477 689644500 /nfs/dbraw/zinc/64/45/00/689644500.db2.gz ZRIBVYMTMHIZDP-RBSFLKMASA-N 2 2 302.422 2.012 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033866477 689644503 /nfs/dbraw/zinc/64/45/03/689644503.db2.gz 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DEEDLP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883391833 691495725 /nfs/dbraw/zinc/49/57/25/691495725.db2.gz SQNNSCBYWJOFIH-LJQANCHMSA-N 2 2 313.445 2.439 20 30 DEEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553142 691996424 /nfs/dbraw/zinc/99/64/24/691996424.db2.gz IBOCKLHYLDNSOS-CQSZACIVSA-N 2 2 316.449 2.376 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969398 692065686 /nfs/dbraw/zinc/06/56/86/692065686.db2.gz PRUJXCYCBCAGOU-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969398 692065689 /nfs/dbraw/zinc/06/56/89/692065689.db2.gz PRUJXCYCBCAGOU-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001047261941 692404421 /nfs/dbraw/zinc/40/44/21/692404421.db2.gz KEHUMTVTHSVJKA-INIZCTEOSA-N 2 2 316.449 2.089 20 30 DEEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000925703311 693327406 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2.385 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001378154849 1161061468 /nfs/dbraw/zinc/06/14/68/1161061468.db2.gz NGGOUTNWMIHBRW-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001378154849 1161061472 /nfs/dbraw/zinc/06/14/72/1161061472.db2.gz NGGOUTNWMIHBRW-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001378154849 1161061477 /nfs/dbraw/zinc/06/14/77/1161061477.db2.gz NGGOUTNWMIHBRW-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001378154849 1161061481 /nfs/dbraw/zinc/06/14/81/1161061481.db2.gz NGGOUTNWMIHBRW-CABCVRRESA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001418934844 1168078453 /nfs/dbraw/zinc/07/84/53/1168078453.db2.gz WDQHOXAAKHYOGE-LSDHHAIUSA-N 2 2 324.856 2.367 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001418934844 1168078458 /nfs/dbraw/zinc/07/84/58/1168078458.db2.gz WDQHOXAAKHYOGE-LSDHHAIUSA-N 2 2 324.856 2.367 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001421646323 1171881160 /nfs/dbraw/zinc/88/11/60/1171881160.db2.gz SIKMUEDTRBWAJX-CQSZACIVSA-N 2 2 324.856 2.260 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001422719355 1172828528 /nfs/dbraw/zinc/82/85/28/1172828528.db2.gz NGRDCUHCGRDGBB-OAHLLOKOSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001422719355 1172828533 /nfs/dbraw/zinc/82/85/33/1172828533.db2.gz NGRDCUHCGRDGBB-OAHLLOKOSA-N 2 2 313.873 2.196 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001438905916 1180847599 /nfs/dbraw/zinc/84/75/99/1180847599.db2.gz RUHPHFWIGXOIAO-HNNXBMFYSA-N 2 2 315.889 2.251 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001438905916 1180847601 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ZINC001167167501 776742852 /nfs/dbraw/zinc/74/28/52/776742852.db2.gz JVQYSVGLPVKUIE-CQSZACIVSA-N 2 2 316.449 2.282 20 30 DEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104967222 778279606 /nfs/dbraw/zinc/27/96/06/778279606.db2.gz NXONDPKUPGMBAQ-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605122 780574778 /nfs/dbraw/zinc/57/47/78/780574778.db2.gz HUTSXXQVPUATLE-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605122 780574783 /nfs/dbraw/zinc/57/47/83/780574783.db2.gz HUTSXXQVPUATLE-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605122 780574788 /nfs/dbraw/zinc/57/47/88/780574788.db2.gz HUTSXXQVPUATLE-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605122 780574796 /nfs/dbraw/zinc/57/47/96/780574796.db2.gz HUTSXXQVPUATLE-QLFBSQMISA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657189 780695858 /nfs/dbraw/zinc/69/58/58/780695858.db2.gz VZVKEWSETRESLB-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657189 780695864 /nfs/dbraw/zinc/69/58/64/780695864.db2.gz VZVKEWSETRESLB-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659074 783329292 /nfs/dbraw/zinc/32/92/92/783329292.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659074 783329305 /nfs/dbraw/zinc/32/93/05/783329305.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659074 783329307 /nfs/dbraw/zinc/32/93/07/783329307.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 2 2 319.493 2.101 20 30 DEEDLP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659074 783329320 /nfs/dbraw/zinc/32/93/20/783329320.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 2 2 319.493 2.101 20 30 DEEDLP CCCCCCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808849 786232591 /nfs/dbraw/zinc/23/25/91/786232591.db2.gz QQSBFQHXWIIPJM-UHFFFAOYSA-N 2 2 306.454 2.457 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621403 787195912 /nfs/dbraw/zinc/19/59/12/787195912.db2.gz SWSCKWZSEHPFHR-FUHWJXTLSA-N 2 2 324.428 2.031 20 30 DEEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621403 787195919 /nfs/dbraw/zinc/19/59/19/787195919.db2.gz SWSCKWZSEHPFHR-FUHWJXTLSA-N 2 2 324.428 2.031 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195100 787958659 /nfs/dbraw/zinc/95/86/59/787958659.db2.gz JXOWYRVMMZNPAU-HOTGVXAUSA-N 2 2 318.465 2.288 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195100 787958666 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20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521254 788116523 /nfs/dbraw/zinc/11/65/23/788116523.db2.gz AKNXIQAQYZRDPN-KBPBESRZSA-N 2 2 301.862 2.048 20 30 DEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097823601 788244215 /nfs/dbraw/zinc/24/42/15/788244215.db2.gz HWSZGPKWUDNEDH-XOUADPBQSA-N 2 2 314.433 2.127 20 30 DEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097823601 788244216 /nfs/dbraw/zinc/24/42/16/788244216.db2.gz HWSZGPKWUDNEDH-XOUADPBQSA-N 2 2 314.433 2.127 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982341 788246939 /nfs/dbraw/zinc/24/69/39/788246939.db2.gz PKSCATJYCXWNKH-HZPDHXFCSA-N 2 2 324.428 2.045 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133240988 788328182 /nfs/dbraw/zinc/32/81/82/788328182.db2.gz CWKQZIWKSBJHTJ-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242834 788330214 /nfs/dbraw/zinc/33/02/14/788330214.db2.gz YBGUMYRKFKBCRJ-HUUCEWRRSA-N 2 2 318.465 2.338 20 30 DEEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729525 789052230 /nfs/dbraw/zinc/05/22/30/789052230.db2.gz JTPGOKMAEJEUGI-ZIAGYGMSSA-N 2 2 306.454 2.376 20 30 DEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135054805 789182332 /nfs/dbraw/zinc/18/23/32/789182332.db2.gz BHQAKVCXIMKGST-HUUCEWRRSA-N 2 2 306.454 2.192 20 30 DEEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071512557 789751964 /nfs/dbraw/zinc/75/19/64/789751964.db2.gz ZFMFURVBWOELHR-WMLDXEAASA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071512557 789751966 /nfs/dbraw/zinc/75/19/66/789751966.db2.gz ZFMFURVBWOELHR-WMLDXEAASA-N 2 2 324.428 2.249 20 30 DEEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148351990 791735911 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DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358629 794190400 /nfs/dbraw/zinc/19/04/00/794190400.db2.gz MEIPANIIQHYBBZ-ARFHVFGLSA-N 2 2 318.465 2.364 20 30 DEEDLP C#Cc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC001176378644 794418211 /nfs/dbraw/zinc/41/82/11/794418211.db2.gz STHZICGLVGNKON-UHFFFAOYSA-N 2 2 307.397 2.103 20 30 DEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176774776 794491340 /nfs/dbraw/zinc/49/13/40/794491340.db2.gz IBWDCABOEYTBJM-NVXWUHKLSA-N 2 2 318.465 2.135 20 30 DEEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492866 794681554 /nfs/dbraw/zinc/68/15/54/794681554.db2.gz NUFXJGVXNVCIBR-UHFFFAOYSA-N 2 2 318.465 2.458 20 30 DEEDLP CC#CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627819 794850129 /nfs/dbraw/zinc/85/01/29/794850129.db2.gz SZFPYIINVPRQSU-UHFFFAOYSA-N 2 2 324.428 2.380 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202211 795075208 /nfs/dbraw/zinc/07/52/08/795075208.db2.gz BCBNSXJAPIYUKC-JYJNAYRXSA-N 2 2 318.465 2.286 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179557040 795137425 /nfs/dbraw/zinc/13/74/25/795137425.db2.gz AQSFOSWNWCUJFI-JJXSEGSLSA-N 2 2 316.449 2.069 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183563181 795889011 /nfs/dbraw/zinc/88/90/11/795889011.db2.gz VFAMOTHBNCXGHV-GOEBONIOSA-N 2 2 318.465 2.472 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533500 796078001 /nfs/dbraw/zinc/07/80/01/796078001.db2.gz FZHSEKYYOOVFHG-OCCSQVGLSA-N 2 2 324.856 2.169 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533500 796078009 /nfs/dbraw/zinc/07/80/09/796078009.db2.gz FZHSEKYYOOVFHG-OCCSQVGLSA-N 2 2 324.856 2.169 20 30 DEEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184853159 796130767 /nfs/dbraw/zinc/13/07/67/796130767.db2.gz 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1088143789 /nfs/dbraw/zinc/14/37/89/1088143789.db2.gz FOIORUOXOSYHIU-QGZVFWFLSA-N 2 2 307.482 2.361 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276041718 1091472311 /nfs/dbraw/zinc/47/23/11/1091472311.db2.gz YRAGUPXZEOYBRC-MSOLQXFVSA-N 2 2 318.465 2.015 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276041718 1091472315 /nfs/dbraw/zinc/47/23/15/1091472315.db2.gz YRAGUPXZEOYBRC-MSOLQXFVSA-N 2 2 318.465 2.015 20 30 DEEDLP C=CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274961864 1091490018 /nfs/dbraw/zinc/49/00/18/1091490018.db2.gz CMVNWGUKIZNLOG-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[NH+]1CCC[C@@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274961864 1091490023 /nfs/dbraw/zinc/49/00/23/1091490023.db2.gz CMVNWGUKIZNLOG-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[N@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274961864 1091490032 /nfs/dbraw/zinc/49/00/32/1091490032.db2.gz CMVNWGUKIZNLOG-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274961864 1091490036 /nfs/dbraw/zinc/49/00/36/1091490036.db2.gz CMVNWGUKIZNLOG-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274974292 1091496674 /nfs/dbraw/zinc/49/66/74/1091496674.db2.gz FZOPVVJSHONEJN-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCCC[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274974292 1091496676 /nfs/dbraw/zinc/49/66/76/1091496676.db2.gz FZOPVVJSHONEJN-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCCC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274974292 1091496681 /nfs/dbraw/zinc/49/66/81/1091496681.db2.gz FZOPVVJSHONEJN-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274974292 1091496683 /nfs/dbraw/zinc/49/66/83/1091496683.db2.gz FZOPVVJSHONEJN-GOSISDBHSA-N 2 2 307.482 2.219 20 30 DEEDLP C=CCCC[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273492944 1091881342 /nfs/dbraw/zinc/88/13/42/1091881342.db2.gz ULTMAJYHLDVRGD-UHFFFAOYSA-N 2 2 316.449 2.201 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238110556 1138823926 /nfs/dbraw/zinc/82/39/26/1138823926.db2.gz MZVAZDDEMLMDEN-AWEZNQCLSA-N 2 2 314.389 2.211 20 30 DEEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238110556 1138823928 /nfs/dbraw/zinc/82/39/28/1138823928.db2.gz MZVAZDDEMLMDEN-AWEZNQCLSA-N 2 2 314.389 2.211 20 30 DEEDLP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316662626 1139873808 /nfs/dbraw/zinc/87/38/08/1139873808.db2.gz UPNWASQDGBTLCT-QLFBSQMISA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316662626 1139873809 /nfs/dbraw/zinc/87/38/09/1139873809.db2.gz UPNWASQDGBTLCT-QLFBSQMISA-N 2 2 304.438 2.039 20 30 DEEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001318643529 1140378003 /nfs/dbraw/zinc/37/80/03/1140378003.db2.gz WKIQQFHYJQMQOQ-HNNXBMFYSA-N 2 2 316.449 2.040 20 30 DEEDLP C#CCC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001318641428 1140378451 /nfs/dbraw/zinc/37/84/51/1140378451.db2.gz CDGQLMDNJYIWLK-UHFFFAOYSA-N 2 2 310.401 2.218 20 30 DEEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001245997561 1140843481 /nfs/dbraw/zinc/84/34/81/1140843481.db2.gz UYINWXVJARQXIQ-IKGGRYGDSA-N 2 2 300.487 2.048 20 30 DEEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321135169 1141063001 /nfs/dbraw/zinc/06/30/01/1141063001.db2.gz DVSBEOCKZSPOIG-OAHLLOKOSA-N 2 2 304.413 2.359 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001322343812 1141533970 /nfs/dbraw/zinc/53/39/70/1141533970.db2.gz ANOPRMCRFGZRAJ-CVEARBPZSA-N 2 2 304.438 2.114 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001323157790 1141819070 /nfs/dbraw/zinc/81/90/70/1141819070.db2.gz FJUZIOWJGIIIMJ-WBVHZDCISA-N 2 2 318.465 2.146 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001324182974 1142024903 /nfs/dbraw/zinc/02/49/03/1142024903.db2.gz XLNPYOBLMYZFGX-IAGOWNOFSA-N 2 2 316.449 2.074 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001324182975 1142025598 /nfs/dbraw/zinc/02/55/98/1142025598.db2.gz XLNPYOBLMYZFGX-IRXDYDNUSA-N 2 2 316.449 2.074 20 30 DEEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001324504744 1142090170 /nfs/dbraw/zinc/09/01/70/1142090170.db2.gz FACDHLKJQPLVRU-CZUORRHYSA-N 2 2 304.438 2.039 20 30 DEEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001324504744 1142090178 /nfs/dbraw/zinc/09/01/78/1142090178.db2.gz FACDHLKJQPLVRU-CZUORRHYSA-N 2 2 304.438 2.039 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278663856 1142704212 /nfs/dbraw/zinc/70/42/12/1142704212.db2.gz PUROTLXNWOWXKE-RKVPGOIHSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278663856 1142704229 /nfs/dbraw/zinc/70/42/29/1142704229.db2.gz PUROTLXNWOWXKE-RKVPGOIHSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278663856 1142704248 /nfs/dbraw/zinc/70/42/48/1142704248.db2.gz PUROTLXNWOWXKE-RKVPGOIHSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278663856 1142704271 /nfs/dbraw/zinc/70/42/71/1142704271.db2.gz PUROTLXNWOWXKE-RKVPGOIHSA-N 2 2 316.449 2.308 20 30 DEEDLP C=CCC[C@H](O)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252594974 1142774661 /nfs/dbraw/zinc/77/46/61/1142774661.db2.gz CYRQCFPILJSLOD-HNNXBMFYSA-N 2 2 320.481 2.211 20 30 DEEDLP C=CCC[C@H](O)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252594974 1142774667 /nfs/dbraw/zinc/77/46/67/1142774667.db2.gz CYRQCFPILJSLOD-HNNXBMFYSA-N 2 2 320.481 2.211 20 30 DEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)c(C)n1 ZINC001339078059 1142913946 /nfs/dbraw/zinc/91/39/46/1142913946.db2.gz LWQSEDVWHNDKBV-UHFFFAOYSA-N 2 2 318.340 2.403 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001421631213 1171875947 /nfs/dbraw/zinc/87/59/47/1171875947.db2.gz GQJFQLNXXIWUSR-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001421631213 1171875954 /nfs/dbraw/zinc/87/59/54/1171875954.db2.gz GQJFQLNXXIWUSR-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001421631213 1171875955 /nfs/dbraw/zinc/87/59/55/1171875955.db2.gz GQJFQLNXXIWUSR-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001421631213 1171875960 /nfs/dbraw/zinc/87/59/60/1171875960.db2.gz GQJFQLNXXIWUSR-CABCVRRESA-N 2 2 313.873 2.146 20 30 DEEDLP CC[C@@H](CC#N)[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001255167629 1143461025 /nfs/dbraw/zinc/46/10/25/1143461025.db2.gz DOCRMWRLQPRGNC-HNNXBMFYSA-N 2 2 301.438 2.029 20 30 DEEDLP CC[C@@H](CC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001255167629 1143461029 /nfs/dbraw/zinc/46/10/29/1143461029.db2.gz DOCRMWRLQPRGNC-HNNXBMFYSA-N 2 2 301.438 2.029 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001263804405 1144396217 /nfs/dbraw/zinc/39/62/17/1144396217.db2.gz BXWFJCJBFGOLIU-HZPDHXFCSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001263804405 1144396222 /nfs/dbraw/zinc/39/62/22/1144396222.db2.gz BXWFJCJBFGOLIU-HZPDHXFCSA-N 2 2 304.438 2.161 20 30 DEEDLP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264125117 1144476102 /nfs/dbraw/zinc/47/61/02/1144476102.db2.gz CBEDNIZGASROSB-HNNXBMFYSA-N 2 2 316.449 2.071 20 30 DEEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001265095543 1144642854 /nfs/dbraw/zinc/64/28/54/1144642854.db2.gz XYZPYYMSYRELHM-IRXDYDNUSA-N 2 2 316.449 2.046 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC001284348776 1145840784 /nfs/dbraw/zinc/84/07/84/1145840784.db2.gz UQKNJJYPUZOUNT-INIZCTEOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317036948 1147651286 /nfs/dbraw/zinc/65/12/86/1147651286.db2.gz KDACMYHIAVPKNO-MRXNPFEDSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317036948 1147651288 /nfs/dbraw/zinc/65/12/88/1147651288.db2.gz KDACMYHIAVPKNO-MRXNPFEDSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317036948 1147651290 /nfs/dbraw/zinc/65/12/90/1147651290.db2.gz KDACMYHIAVPKNO-MRXNPFEDSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317036948 1147651291 /nfs/dbraw/zinc/65/12/91/1147651291.db2.gz KDACMYHIAVPKNO-MRXNPFEDSA-N 2 2 318.465 2.479 20 30 DEEDLP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317482162 1147713778 /nfs/dbraw/zinc/71/37/78/1147713778.db2.gz QCIUKJNICHYFRV-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317482162 1147713780 /nfs/dbraw/zinc/71/37/80/1147713780.db2.gz QCIUKJNICHYFRV-JKSUJKDBSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001367862149 1147763254 /nfs/dbraw/zinc/76/32/54/1147763254.db2.gz NJDUXAMOPJWFFN-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367862149 1147763256 /nfs/dbraw/zinc/76/32/56/1147763256.db2.gz NJDUXAMOPJWFFN-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001367862149 1147763257 /nfs/dbraw/zinc/76/32/57/1147763257.db2.gz NJDUXAMOPJWFFN-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001367862149 1147763259 /nfs/dbraw/zinc/76/32/59/1147763259.db2.gz NJDUXAMOPJWFFN-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CCCC[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001318123574 1147778032 /nfs/dbraw/zinc/77/80/32/1147778032.db2.gz ZEJLDEIEHXWJJI-UHFFFAOYSA-N 2 2 312.417 2.271 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001324739180 1147838058 /nfs/dbraw/zinc/83/80/58/1147838058.db2.gz WXPVTUTVCQSEEN-QGZVFWFLSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324739180 1147838059 /nfs/dbraw/zinc/83/80/59/1147838059.db2.gz WXPVTUTVCQSEEN-QGZVFWFLSA-N 2 2 304.438 2.137 20 30 DEEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001324749881 1147839544 /nfs/dbraw/zinc/83/95/44/1147839544.db2.gz DOLHUMPWOBPQGO-GOSISDBHSA-N 2 2 318.465 2.331 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974966 354934133 /nfs/dbraw/zinc/93/41/33/354934133.db2.gz NQOVRBGXCPBSIC-IKGGRYGDSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974966 354934136 /nfs/dbraw/zinc/93/41/36/354934136.db2.gz NQOVRBGXCPBSIC-IKGGRYGDSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974966 354934137 /nfs/dbraw/zinc/93/41/37/354934137.db2.gz NQOVRBGXCPBSIC-IKGGRYGDSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974966 354934140 /nfs/dbraw/zinc/93/41/40/354934140.db2.gz NQOVRBGXCPBSIC-IKGGRYGDSA-N 2 2 307.482 2.264 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081516552 192276324 /nfs/dbraw/zinc/27/63/24/192276324.db2.gz UQMOZGWYMRXPTK-DLBZAZTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081516552 192276325 /nfs/dbraw/zinc/27/63/25/192276325.db2.gz UQMOZGWYMRXPTK-DLBZAZTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081516552 192276328 /nfs/dbraw/zinc/27/63/28/192276328.db2.gz UQMOZGWYMRXPTK-DLBZAZTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081516552 192276331 /nfs/dbraw/zinc/27/63/31/192276331.db2.gz UQMOZGWYMRXPTK-DLBZAZTESA-N 2 2 309.498 2.463 20 30 DEEDLP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1F ZINC000585716951 357348437 /nfs/dbraw/zinc/34/84/37/357348437.db2.gz LEPQFAYYCASSJF-KRWDZBQOSA-N 2 2 317.408 2.384 20 30 DEEDLP N#Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1F ZINC000585716951 357348440 /nfs/dbraw/zinc/34/84/40/357348440.db2.gz LEPQFAYYCASSJF-KRWDZBQOSA-N 2 2 317.408 2.384 20 30 DEEDLP CC1(C#N)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602806640 360564536 /nfs/dbraw/zinc/56/45/36/360564536.db2.gz NRYQMTODXLVURV-LJQANCHMSA-N 2 2 313.445 2.249 20 30 DEEDLP CC1(C#N)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602806640 360564541 /nfs/dbraw/zinc/56/45/41/360564541.db2.gz NRYQMTODXLVURV-LJQANCHMSA-N 2 2 313.445 2.249 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)C(C)C ZINC000674711142 541238808 /nfs/dbraw/zinc/23/88/08/541238808.db2.gz QGSUDWNKRBILMW-IRXDYDNUSA-N 2 2 317.481 2.213 20 30 DEEDLP COCC[N@@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000331353318 532963524 /nfs/dbraw/zinc/96/35/24/532963524.db2.gz ZZKDDBYTUXAKCB-AWEZNQCLSA-N 2 2 320.437 2.205 20 30 DEEDLP COCC[N@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000331353318 532963527 /nfs/dbraw/zinc/96/35/27/532963527.db2.gz ZZKDDBYTUXAKCB-AWEZNQCLSA-N 2 2 320.437 2.205 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084857 401960181 /nfs/dbraw/zinc/96/01/81/401960181.db2.gz ISHVTHMPQVPYPD-JKSUJKDBSA-N 2 2 304.438 2.191 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084857 401960184 /nfs/dbraw/zinc/96/01/84/401960184.db2.gz ISHVTHMPQVPYPD-JKSUJKDBSA-N 2 2 304.438 2.191 20 30 DEEDLP CO[C@H](C)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000181604146 402651669 /nfs/dbraw/zinc/65/16/69/402651669.db2.gz HFSHDPVLOHWTRR-CQSZACIVSA-N 2 2 305.422 2.344 20 30 DEEDLP N#Cc1c(F)cccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182614570 402704228 /nfs/dbraw/zinc/70/42/28/402704228.db2.gz DOVROWOICCNWHA-UHFFFAOYSA-N 2 2 313.380 2.106 20 30 DEEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537662 402676882 /nfs/dbraw/zinc/67/68/82/402676882.db2.gz OVHAVCGASPVEBJ-KRWDZBQOSA-N 2 2 323.444 2.246 20 30 DEEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537662 402676884 /nfs/dbraw/zinc/67/68/84/402676884.db2.gz OVHAVCGASPVEBJ-KRWDZBQOSA-N 2 2 323.444 2.246 20 30 DEEDLP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537662 402676885 /nfs/dbraw/zinc/67/68/85/402676885.db2.gz OVHAVCGASPVEBJ-KRWDZBQOSA-N 2 2 323.444 2.246 20 30 DEEDLP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000191537662 402676887 /nfs/dbraw/zinc/67/68/87/402676887.db2.gz OVHAVCGASPVEBJ-KRWDZBQOSA-N 2 2 323.444 2.246 20 30 DEEDLP C=C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000264431048 402877440 /nfs/dbraw/zinc/87/74/40/402877440.db2.gz CMISSKALBCRCMH-UHFFFAOYSA-N 2 2 319.474 2.044 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000266617893 402979355 /nfs/dbraw/zinc/97/93/55/402979355.db2.gz YXLYKVAHFYVKOW-DLBZAZTESA-N 2 2 307.482 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000266617893 402979356 /nfs/dbraw/zinc/97/93/56/402979356.db2.gz YXLYKVAHFYVKOW-DLBZAZTESA-N 2 2 307.482 2.239 20 30 DEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285630769 403343779 /nfs/dbraw/zinc/34/37/79/403343779.db2.gz LHRFVIHVRGTCOI-OAHLLOKOSA-N 2 2 309.417 2.402 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285732928 403368232 /nfs/dbraw/zinc/36/82/32/403368232.db2.gz QTVRABZJMDIDPH-UHFFFAOYSA-N 2 2 319.449 2.234 20 30 DEEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285732928 403368236 /nfs/dbraw/zinc/36/82/36/403368236.db2.gz QTVRABZJMDIDPH-UHFFFAOYSA-N 2 2 319.449 2.234 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285732928 403368238 /nfs/dbraw/zinc/36/82/38/403368238.db2.gz QTVRABZJMDIDPH-UHFFFAOYSA-N 2 2 319.449 2.234 20 30 DEEDLP C=CCN(CC=C)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285732928 403368241 /nfs/dbraw/zinc/36/82/41/403368241.db2.gz QTVRABZJMDIDPH-UHFFFAOYSA-N 2 2 319.449 2.234 20 30 DEEDLP C=CCN1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1=O ZINC000289394515 403941164 /nfs/dbraw/zinc/94/11/64/403941164.db2.gz MZMURDUNLOKLMD-INIZCTEOSA-N 2 2 315.417 2.020 20 30 DEEDLP CC1CC[NH+](CC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000328632420 404118890 /nfs/dbraw/zinc/11/88/90/404118890.db2.gz RTYJOEISPRHMAM-ZBFHGGJFSA-N 2 2 320.437 2.329 20 30 DEEDLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329799152 404455042 /nfs/dbraw/zinc/45/50/42/404455042.db2.gz IBCNAGKUWIQFSJ-UKRRQHHQSA-N 2 2 319.453 2.232 20 30 DEEDLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329799152 404455050 /nfs/dbraw/zinc/45/50/50/404455050.db2.gz IBCNAGKUWIQFSJ-UKRRQHHQSA-N 2 2 319.453 2.232 20 30 DEEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330336176 404630595 /nfs/dbraw/zinc/63/05/95/404630595.db2.gz SFOFBGLVDUFFMU-CTASWTNQSA-N 2 2 320.437 2.470 20 30 DEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330336176 404630601 /nfs/dbraw/zinc/63/06/01/404630601.db2.gz SFOFBGLVDUFFMU-CTASWTNQSA-N 2 2 320.437 2.470 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429886 404829294 /nfs/dbraw/zinc/82/92/94/404829294.db2.gz VDHATYIIXGECBB-HKUYNNGSSA-N 2 2 313.445 2.492 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429886 404829297 /nfs/dbraw/zinc/82/92/97/404829297.db2.gz VDHATYIIXGECBB-HKUYNNGSSA-N 2 2 313.445 2.492 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000353923374 404973068 /nfs/dbraw/zinc/97/30/68/404973068.db2.gz PYEPBARULOLIHO-UHFFFAOYSA-N 2 2 312.417 2.292 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000491709606 406681724 /nfs/dbraw/zinc/68/17/24/406681724.db2.gz QWKPNLXGOKRCAT-LBPRGKRZSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000491709606 406681727 /nfs/dbraw/zinc/68/17/27/406681727.db2.gz QWKPNLXGOKRCAT-LBPRGKRZSA-N 2 2 310.239 2.450 20 30 DEEDLP CCn1c[nH+]cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000417732534 229081052 /nfs/dbraw/zinc/08/10/52/229081052.db2.gz WYYSIKAJMKBPBI-UHFFFAOYSA-N 2 2 323.444 2.483 20 30 DEEDLP CCn1c[nH+]cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000417732534 229081055 /nfs/dbraw/zinc/08/10/55/229081055.db2.gz WYYSIKAJMKBPBI-UHFFFAOYSA-N 2 2 323.444 2.483 20 30 DEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849666 649854211 /nfs/dbraw/zinc/85/42/11/649854211.db2.gz DUNFDNLRIKZNHI-WBVHZDCISA-N 2 2 317.433 2.086 20 30 DEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OCC#N)cc1 ZINC000834849666 649854213 /nfs/dbraw/zinc/85/42/13/649854213.db2.gz DUNFDNLRIKZNHI-WBVHZDCISA-N 2 2 317.433 2.086 20 30 DEEDLP C=CCOCCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656708653 425168045 /nfs/dbraw/zinc/16/80/45/425168045.db2.gz IQURRPVQXWAPRF-MRXNPFEDSA-N 2 2 317.433 2.196 20 30 DEEDLP C=CCOCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472793 425777861 /nfs/dbraw/zinc/77/78/61/425777861.db2.gz BAUZQHXVKCSNKJ-UHFFFAOYSA-N 2 2 310.361 2.215 20 30 DEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCSC2(CCCCC2)C1 ZINC000261851409 275733267 /nfs/dbraw/zinc/73/32/67/275733267.db2.gz YCFGNVGHVMONCE-UHFFFAOYSA-N 2 2 321.494 2.210 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341658 280102372 /nfs/dbraw/zinc/10/23/72/280102372.db2.gz VMLODPCETXDQDL-JFIYKMOQSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341658 280102375 /nfs/dbraw/zinc/10/23/75/280102375.db2.gz VMLODPCETXDQDL-JFIYKMOQSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441341658 280102376 /nfs/dbraw/zinc/10/23/76/280102376.db2.gz VMLODPCETXDQDL-JFIYKMOQSA-N 2 2 322.497 2.236 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441341658 280102378 /nfs/dbraw/zinc/10/23/78/280102378.db2.gz VMLODPCETXDQDL-JFIYKMOQSA-N 2 2 322.497 2.236 20 30 DEEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CCC1 ZINC000263022951 303219432 /nfs/dbraw/zinc/21/94/32/303219432.db2.gz AFDRBXJJBRYGSF-MRXNPFEDSA-N 2 2 318.490 2.061 20 30 DEEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC1CCC1 ZINC000263022951 303219433 /nfs/dbraw/zinc/21/94/33/303219433.db2.gz AFDRBXJJBRYGSF-MRXNPFEDSA-N 2 2 318.490 2.061 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000571341093 333766057 /nfs/dbraw/zinc/76/60/57/333766057.db2.gz IOULPLUNACHRSH-UHFFFAOYSA-N 2 2 312.417 2.413 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000299663726 534781223 /nfs/dbraw/zinc/78/12/23/534781223.db2.gz OCYSCSCURRLYHU-UHFFFAOYSA-N 2 2 318.384 2.152 20 30 DEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)[NH+](C)C ZINC000264099584 526415152 /nfs/dbraw/zinc/41/51/52/526415152.db2.gz YMGMHFWRPGDFAK-CYBMUJFWSA-N 2 2 306.435 2.309 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000332632640 526448124 /nfs/dbraw/zinc/44/81/24/526448124.db2.gz QAWWXWBJNUAOQH-UHFFFAOYSA-N 2 2 312.417 2.262 20 30 DEEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237737727 526569582 /nfs/dbraw/zinc/56/95/82/526569582.db2.gz QVYMZBFIZBQXHK-UHFFFAOYSA-N 2 2 321.852 2.196 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294888394 526827269 /nfs/dbraw/zinc/82/72/69/526827269.db2.gz DTUMLEASFCQYCG-UHFFFAOYSA-N 3 2 324.472 2.067 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294888394 526827277 /nfs/dbraw/zinc/82/72/77/526827277.db2.gz DTUMLEASFCQYCG-UHFFFAOYSA-N 3 2 324.472 2.067 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000294888394 526827281 /nfs/dbraw/zinc/82/72/81/526827281.db2.gz DTUMLEASFCQYCG-UHFFFAOYSA-N 2 2 324.472 2.067 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000294888394 526827288 /nfs/dbraw/zinc/82/72/88/526827288.db2.gz DTUMLEASFCQYCG-UHFFFAOYSA-N 2 2 324.472 2.067 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000295009591 526827984 /nfs/dbraw/zinc/82/79/84/526827984.db2.gz MPOGCPQWLHMOFX-LBPRGKRZSA-N 2 2 310.239 2.450 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000295009591 526827986 /nfs/dbraw/zinc/82/79/86/526827986.db2.gz MPOGCPQWLHMOFX-LBPRGKRZSA-N 2 2 310.239 2.450 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341434587 527148286 /nfs/dbraw/zinc/14/82/86/527148286.db2.gz KEEIQSHWZKRDJE-HOTGVXAUSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@H](CC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341434587 527148291 /nfs/dbraw/zinc/14/82/91/527148291.db2.gz KEEIQSHWZKRDJE-HOTGVXAUSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000341889569 527189646 /nfs/dbraw/zinc/18/96/46/527189646.db2.gz RVDFFOJCRAXDPZ-SOLBZPMBSA-N 2 2 303.450 2.066 20 30 DEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000341889569 527189650 /nfs/dbraw/zinc/18/96/50/527189650.db2.gz RVDFFOJCRAXDPZ-SOLBZPMBSA-N 2 2 303.450 2.066 20 30 DEEDLP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246387912 527367392 /nfs/dbraw/zinc/36/73/92/527367392.db2.gz KOPNVCBQVDLMNZ-SJLPKXTDSA-N 2 2 303.450 2.474 20 30 DEEDLP C=CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246387912 527367400 /nfs/dbraw/zinc/36/74/00/527367400.db2.gz KOPNVCBQVDLMNZ-SJLPKXTDSA-N 2 2 303.450 2.474 20 30 DEEDLP CCc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000264088428 529176248 /nfs/dbraw/zinc/17/62/48/529176248.db2.gz KHGDGCTWCBOWKO-UHFFFAOYSA-N 2 2 304.438 2.086 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273594 625320891 /nfs/dbraw/zinc/32/08/91/625320891.db2.gz QWNTZMYZINKNQJ-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273594 625320894 /nfs/dbraw/zinc/32/08/94/625320894.db2.gz QWNTZMYZINKNQJ-SJORKVTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303154 625330219 /nfs/dbraw/zinc/33/02/19/625330219.db2.gz FNHXMOXTHVVXOR-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303154 625330223 /nfs/dbraw/zinc/33/02/23/625330223.db2.gz FNHXMOXTHVVXOR-IAGOWNOFSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N[C@H](CC)CO)[nH+]cn2)CC1 ZINC000892396944 625431938 /nfs/dbraw/zinc/43/19/38/625431938.db2.gz UGNCMXHZSUPBFP-CQSZACIVSA-N 2 2 319.453 2.112 20 30 DEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000970147007 623188169 /nfs/dbraw/zinc/18/81/69/623188169.db2.gz QYLVOXLAEZJOFT-AWEZNQCLSA-N 2 2 312.417 2.351 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722990 624005658 /nfs/dbraw/zinc/00/56/58/624005658.db2.gz RBLKXIVQHAMZDH-NVXWUHKLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722990 624005662 /nfs/dbraw/zinc/00/56/62/624005662.db2.gz RBLKXIVQHAMZDH-NVXWUHKLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371120 625243630 /nfs/dbraw/zinc/24/36/30/625243630.db2.gz SKNJFQCGFRCLSG-OAHLLOKOSA-N 2 2 312.417 2.271 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371120 625243637 /nfs/dbraw/zinc/24/36/37/625243637.db2.gz SKNJFQCGFRCLSG-OAHLLOKOSA-N 2 2 312.417 2.271 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652630 625953280 /nfs/dbraw/zinc/95/32/80/625953280.db2.gz RBGSYRDNCVCWCY-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652630 625953282 /nfs/dbraw/zinc/95/32/82/625953282.db2.gz RBGSYRDNCVCWCY-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999182182 634508101 /nfs/dbraw/zinc/50/81/01/634508101.db2.gz CCAMZDMOFOEYDG-UHFFFAOYSA-N 2 2 310.401 2.251 20 30 DEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974585752 633166270 /nfs/dbraw/zinc/16/62/70/633166270.db2.gz UXRBTTRLWDDYQE-OAHLLOKOSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974585752 633166272 /nfs/dbraw/zinc/16/62/72/633166272.db2.gz UXRBTTRLWDDYQE-OAHLLOKOSA-N 2 2 312.417 2.269 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003701 635218416 /nfs/dbraw/zinc/21/84/16/635218416.db2.gz QVEFUYSMWHVFPN-CQSZACIVSA-N 2 2 318.808 2.281 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003701 635218418 /nfs/dbraw/zinc/21/84/18/635218418.db2.gz QVEFUYSMWHVFPN-CQSZACIVSA-N 2 2 318.808 2.281 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740186 635621436 /nfs/dbraw/zinc/62/14/36/635621436.db2.gz CUQOUPDYCKIQIS-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740186 635621440 /nfs/dbraw/zinc/62/14/40/635621440.db2.gz CUQOUPDYCKIQIS-UHFFFAOYSA-N 2 2 316.449 2.233 20 30 DEEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981846209 635686443 /nfs/dbraw/zinc/68/64/43/635686443.db2.gz BULNXJXOYOGBQV-UHFFFAOYSA-N 2 2 322.412 2.124 20 30 DEEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981846209 635686446 /nfs/dbraw/zinc/68/64/46/635686446.db2.gz BULNXJXOYOGBQV-UHFFFAOYSA-N 2 2 322.412 2.124 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982050589 635843587 /nfs/dbraw/zinc/84/35/87/635843587.db2.gz CINDQZJMNMUPAW-MRXNPFEDSA-N 2 2 304.438 2.335 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982050589 635843597 /nfs/dbraw/zinc/84/35/97/635843597.db2.gz CINDQZJMNMUPAW-MRXNPFEDSA-N 2 2 304.438 2.335 20 30 DEEDLP C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896326042 638462949 /nfs/dbraw/zinc/46/29/49/638462949.db2.gz VTBMVZNMBBPVNH-MRXNPFEDSA-N 2 2 305.466 2.018 20 30 DEEDLP C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000896326042 638462952 /nfs/dbraw/zinc/46/29/52/638462952.db2.gz VTBMVZNMBBPVNH-MRXNPFEDSA-N 2 2 305.466 2.018 20 30 DEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988841885 640672729 /nfs/dbraw/zinc/67/27/29/640672729.db2.gz CLPGUNDPFIODFD-CZUORRHYSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000907411315 644535761 /nfs/dbraw/zinc/53/57/61/644535761.db2.gz NPIJNHGLCJZDOI-HNNXBMFYSA-N 2 2 321.490 2.461 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992166129 646881112 /nfs/dbraw/zinc/88/11/12/646881112.db2.gz GTXRRTGBDZMMDN-JCKWVBRZSA-N 2 2 314.433 2.129 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992166129 646881116 /nfs/dbraw/zinc/88/11/16/646881116.db2.gz GTXRRTGBDZMMDN-JCKWVBRZSA-N 2 2 314.433 2.129 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942485566 649227553 /nfs/dbraw/zinc/22/75/53/649227553.db2.gz HZMGYDSMEKDLRH-LSDHHAIUSA-N 2 2 312.417 2.351 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942485566 649227555 /nfs/dbraw/zinc/22/75/55/649227555.db2.gz HZMGYDSMEKDLRH-LSDHHAIUSA-N 2 2 312.417 2.351 20 30 DEEDLP CCc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303770683 685233241 /nfs/dbraw/zinc/23/32/41/685233241.db2.gz CAVGMUVCDQLIPW-QGZVFWFLSA-N 2 2 318.465 2.332 20 30 DEEDLP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+](C)CCOC ZINC000303986150 685242381 /nfs/dbraw/zinc/24/23/81/685242381.db2.gz UGBCKBPIPOCQOO-UHFFFAOYSA-N 2 2 306.454 2.116 20 30 DEEDLP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000303986150 685242385 /nfs/dbraw/zinc/24/23/85/685242385.db2.gz UGBCKBPIPOCQOO-UHFFFAOYSA-N 2 2 306.454 2.116 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001054895892 694066945 /nfs/dbraw/zinc/06/69/45/694066945.db2.gz MQLQEDMHVNNJBK-YPMHNXCESA-N 2 2 318.808 2.137 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001017945573 688008430 /nfs/dbraw/zinc/00/84/30/688008430.db2.gz RUHCTWXACAJLOR-RVKKMQEKSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001017945573 688008434 /nfs/dbraw/zinc/00/84/34/688008434.db2.gz RUHCTWXACAJLOR-RVKKMQEKSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017945573 688008437 /nfs/dbraw/zinc/00/84/37/688008437.db2.gz RUHCTWXACAJLOR-RVKKMQEKSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001017945573 688008440 /nfs/dbraw/zinc/00/84/40/688008440.db2.gz RUHCTWXACAJLOR-RVKKMQEKSA-N 2 2 323.456 2.060 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001032727085 689239040 /nfs/dbraw/zinc/23/90/40/689239040.db2.gz XADCWDZMLQJWHU-YESZJQIVSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001032727085 689239043 /nfs/dbraw/zinc/23/90/43/689239043.db2.gz XADCWDZMLQJWHU-YESZJQIVSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032727085 689239046 /nfs/dbraw/zinc/23/90/46/689239046.db2.gz XADCWDZMLQJWHU-YESZJQIVSA-N 2 2 305.466 2.112 20 30 DEEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032727085 689239049 /nfs/dbraw/zinc/23/90/49/689239049.db2.gz XADCWDZMLQJWHU-YESZJQIVSA-N 2 2 305.466 2.112 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071585 689376220 /nfs/dbraw/zinc/37/62/20/689376220.db2.gz FSZVKIIPAFNZHM-CABCVRRESA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071585 689376224 /nfs/dbraw/zinc/37/62/24/689376224.db2.gz FSZVKIIPAFNZHM-CABCVRRESA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071585 689376229 /nfs/dbraw/zinc/37/62/29/689376229.db2.gz FSZVKIIPAFNZHM-CABCVRRESA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071585 689376233 /nfs/dbraw/zinc/37/62/33/689376233.db2.gz FSZVKIIPAFNZHM-CABCVRRESA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071590 689376346 /nfs/dbraw/zinc/37/63/46/689376346.db2.gz FSZVKIIPAFNZHM-LSDHHAIUSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071590 689376349 /nfs/dbraw/zinc/37/63/49/689376349.db2.gz FSZVKIIPAFNZHM-LSDHHAIUSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071590 689376353 /nfs/dbraw/zinc/37/63/53/689376353.db2.gz FSZVKIIPAFNZHM-LSDHHAIUSA-N 2 2 313.873 2.144 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071590 689376357 /nfs/dbraw/zinc/37/63/57/689376357.db2.gz FSZVKIIPAFNZHM-LSDHHAIUSA-N 2 2 313.873 2.144 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC=C(C)C)C1 ZINC001034249314 689781441 /nfs/dbraw/zinc/78/14/41/689781441.db2.gz IXLCZNSKJDEHFJ-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC=C(C)C)C1 ZINC001034249314 689781444 /nfs/dbraw/zinc/78/14/44/689781444.db2.gz IXLCZNSKJDEHFJ-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC=C(C)C)C1 ZINC001034249314 689781447 /nfs/dbraw/zinc/78/14/47/689781447.db2.gz IXLCZNSKJDEHFJ-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC=C(C)C)C1 ZINC001034249314 689781451 /nfs/dbraw/zinc/78/14/51/689781451.db2.gz IXLCZNSKJDEHFJ-MSOLQXFVSA-N 2 2 317.477 2.021 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034275900 689791129 /nfs/dbraw/zinc/79/11/29/689791129.db2.gz GKRCSRKHBKDJJM-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034275900 689791132 /nfs/dbraw/zinc/79/11/32/689791132.db2.gz GKRCSRKHBKDJJM-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034275900 689791134 /nfs/dbraw/zinc/79/11/34/689791134.db2.gz GKRCSRKHBKDJJM-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034275900 689791136 /nfs/dbraw/zinc/79/11/36/689791136.db2.gz GKRCSRKHBKDJJM-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876780443 689936066 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SLLCSWXLYQUIHS-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001437805965 1180002524 /nfs/dbraw/zinc/00/25/24/1180002524.db2.gz SLLCSWXLYQUIHS-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001437805965 1180002533 /nfs/dbraw/zinc/00/25/33/1180002533.db2.gz SLLCSWXLYQUIHS-KBPBESRZSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001438755659 1180805440 /nfs/dbraw/zinc/80/54/40/1180805440.db2.gz SHVONFZAOWOAFC-CQSZACIVSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001444818659 1183569208 /nfs/dbraw/zinc/56/92/08/1183569208.db2.gz CCTZGLSDKUOUSI-ZFWWWQNUSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001449264786 1185599237 /nfs/dbraw/zinc/59/92/37/1185599237.db2.gz DMVYXLVBHCVJCV-AWEZNQCLSA-N 2 2 315.889 2.250 20 30 DEEDLP 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782873462 /nfs/dbraw/zinc/87/34/62/782873462.db2.gz SRSVSYRUDWUBMY-OWCLPIDISA-N 2 2 304.438 2.094 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089528408 783185748 /nfs/dbraw/zinc/18/57/48/783185748.db2.gz JUQYHWKRXHVRIZ-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089528408 783185758 /nfs/dbraw/zinc/18/57/58/783185758.db2.gz JUQYHWKRXHVRIZ-AWEZNQCLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115592208 777056669 /nfs/dbraw/zinc/05/66/69/777056669.db2.gz YVBLYVDWHLPWDF-UHFFFAOYSA-N 2 2 317.433 2.227 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001087307373 777762706 /nfs/dbraw/zinc/76/27/06/777762706.db2.gz YUFDXIOGXYYCTK-HYVNUMGLSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001087307373 777762712 /nfs/dbraw/zinc/76/27/12/777762712.db2.gz YUFDXIOGXYYCTK-HYVNUMGLSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087321742 777785814 /nfs/dbraw/zinc/78/58/14/777785814.db2.gz YCFYRTMZSSQODW-DJIMGWMZSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087321742 777785821 /nfs/dbraw/zinc/78/58/21/777785821.db2.gz YCFYRTMZSSQODW-DJIMGWMZSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473346 783478365 /nfs/dbraw/zinc/47/83/65/783478365.db2.gz DBSYYGHJFOEHFE-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473346 783478371 /nfs/dbraw/zinc/47/83/71/783478371.db2.gz DBSYYGHJFOEHFE-MRXNPFEDSA-N 2 2 318.465 2.426 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099991 783561442 /nfs/dbraw/zinc/56/14/42/783561442.db2.gz FXPIVOWKUBXSOH-BBRMVZONSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099991 783561445 /nfs/dbraw/zinc/56/14/45/783561445.db2.gz FXPIVOWKUBXSOH-BBRMVZONSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250230 783604036 /nfs/dbraw/zinc/60/40/36/783604036.db2.gz KXJGQFSZXPVYNG-RRFJBIMHSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250230 783604040 /nfs/dbraw/zinc/60/40/40/783604040.db2.gz KXJGQFSZXPVYNG-RRFJBIMHSA-N 2 2 316.449 2.026 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903275 783807309 /nfs/dbraw/zinc/80/73/09/783807309.db2.gz DEFNWIXPNDHCGP-ZBFHGGJFSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903275 783807313 /nfs/dbraw/zinc/80/73/13/783807313.db2.gz DEFNWIXPNDHCGP-ZBFHGGJFSA-N 2 2 318.465 2.329 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746918 784033020 /nfs/dbraw/zinc/03/30/20/784033020.db2.gz TUUCCSJEOOXUHP-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746918 784033029 /nfs/dbraw/zinc/03/30/29/784033029.db2.gz TUUCCSJEOOXUHP-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086440907 784735570 /nfs/dbraw/zinc/73/55/70/784735570.db2.gz VFLROZHVPUCZTA-KOMQPUFPSA-N 2 2 310.401 2.156 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491221 787406385 /nfs/dbraw/zinc/40/63/85/787406385.db2.gz NXMRADTUGLHHBN-OAHLLOKOSA-N 2 2 320.481 2.499 20 30 DEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491221 787406391 /nfs/dbraw/zinc/40/63/91/787406391.db2.gz NXMRADTUGLHHBN-OAHLLOKOSA-N 2 2 320.481 2.499 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024636 787885128 /nfs/dbraw/zinc/88/51/28/787885128.db2.gz HKGZYMHALFGJCQ-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024636 787885137 /nfs/dbraw/zinc/88/51/37/787885137.db2.gz HKGZYMHALFGJCQ-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919387 788227476 /nfs/dbraw/zinc/22/74/76/788227476.db2.gz JNSNJULCNRYNJO-GDBMZVCRSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148899962 791814846 /nfs/dbraw/zinc/81/48/46/791814846.db2.gz MUUJSRCCLHSJQG-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148899962 791814850 /nfs/dbraw/zinc/81/48/50/791814850.db2.gz MUUJSRCCLHSJQG-UHFFFAOYSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110156970 792908162 /nfs/dbraw/zinc/90/81/62/792908162.db2.gz HZKFDXKPOSYIER-VSZNYVQBSA-N 2 2 313.445 2.197 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110156970 792908168 /nfs/dbraw/zinc/90/81/68/792908168.db2.gz HZKFDXKPOSYIER-VSZNYVQBSA-N 2 2 313.445 2.197 20 30 DEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204069399 793132353 /nfs/dbraw/zinc/13/23/53/793132353.db2.gz OBWRUTWLNCYOCE-UHFFFAOYSA-N 2 2 304.438 2.210 20 30 DEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784621 793213139 /nfs/dbraw/zinc/21/31/39/793213139.db2.gz QZVKXKYMZWBSPT-HNNXBMFYSA-N 2 2 312.417 2.236 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896385 793243256 /nfs/dbraw/zinc/24/32/56/793243256.db2.gz NIEALRBWKLAHPW-HNNXBMFYSA-N 2 2 306.454 2.193 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001094922561 793443796 /nfs/dbraw/zinc/44/37/96/793443796.db2.gz HGBHEPRQYVJALW-XIRDDKMYSA-N 2 2 324.428 2.411 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205116 793529259 /nfs/dbraw/zinc/52/92/59/793529259.db2.gz LXERBSIXIGXDSP-IXDOHACOSA-N 2 2 318.465 2.312 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205116 793529263 /nfs/dbraw/zinc/52/92/63/793529263.db2.gz LXERBSIXIGXDSP-IXDOHACOSA-N 2 2 318.465 2.312 20 30 DEEDLP C=CCCCCC[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002546 794114982 /nfs/dbraw/zinc/11/49/82/794114982.db2.gz IZXGLTPRNCGDHD-UHFFFAOYSA-N 2 2 306.454 2.195 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779187 794221231 /nfs/dbraw/zinc/22/12/31/794221231.db2.gz QEAZTCFAXPCPCU-BRWVUGGUSA-N 2 2 318.465 2.312 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779187 794221238 /nfs/dbraw/zinc/22/12/38/794221238.db2.gz QEAZTCFAXPCPCU-BRWVUGGUSA-N 2 2 318.465 2.312 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643771 794253903 /nfs/dbraw/zinc/25/39/03/794253903.db2.gz GSKGNTIJHZXCTN-CABCVRRESA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643771 794253911 /nfs/dbraw/zinc/25/39/11/794253911.db2.gz GSKGNTIJHZXCTN-CABCVRRESA-N 2 2 306.454 2.429 20 30 DEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955167 794533948 /nfs/dbraw/zinc/53/39/48/794533948.db2.gz IFVCXVLCDDZLBV-YJBOKZPZSA-N 2 2 316.449 2.198 20 30 DEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955167 794533954 /nfs/dbraw/zinc/53/39/54/794533954.db2.gz IFVCXVLCDDZLBV-YJBOKZPZSA-N 2 2 316.449 2.198 20 30 DEEDLP N#Cc1ccc(NCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC001177209074 794600924 /nfs/dbraw/zinc/60/09/24/794600924.db2.gz GPELXDZZDPCFJK-UHFFFAOYSA-N 2 2 318.384 2.341 20 30 DEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386607 794618043 /nfs/dbraw/zinc/61/80/43/794618043.db2.gz CHVGZRUOLFJLDG-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386607 794618049 /nfs/dbraw/zinc/61/80/49/794618049.db2.gz CHVGZRUOLFJLDG-YJBOKZPZSA-N 2 2 316.449 2.137 20 30 DEEDLP C#CCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752463 794909050 /nfs/dbraw/zinc/90/90/50/794909050.db2.gz DJPPDRWHBSFOHZ-MRXNPFEDSA-N 2 2 316.449 2.266 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835950 795692646 /nfs/dbraw/zinc/69/26/46/795692646.db2.gz ZVQKZRXFHMWCJC-ZGJUNIKESA-N 2 2 316.449 2.324 20 30 DEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183563173 795889140 /nfs/dbraw/zinc/88/91/40/795889140.db2.gz VFAMOTHBNCXGHV-GDBMZVCRSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184533911 796078161 /nfs/dbraw/zinc/07/81/61/796078161.db2.gz HGPKLIFLHHSIHX-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184533911 796078169 /nfs/dbraw/zinc/07/81/69/796078169.db2.gz HGPKLIFLHHSIHX-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158859 796640678 /nfs/dbraw/zinc/64/06/78/796640678.db2.gz SWHAFJRBJSTTCG-YQQAZPJKSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158859 796640680 /nfs/dbraw/zinc/64/06/80/796640680.db2.gz SWHAFJRBJSTTCG-YQQAZPJKSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158859 796640686 /nfs/dbraw/zinc/64/06/86/796640686.db2.gz SWHAFJRBJSTTCG-YQQAZPJKSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158859 796640688 /nfs/dbraw/zinc/64/06/88/796640688.db2.gz SWHAFJRBJSTTCG-YQQAZPJKSA-N 2 2 316.449 2.230 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001153340668 797324919 /nfs/dbraw/zinc/32/49/19/797324919.db2.gz SWHPGKDLIOLMRM-SFHVURJKSA-N 2 2 309.413 2.201 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001153340668 797324926 /nfs/dbraw/zinc/32/49/26/797324926.db2.gz SWHPGKDLIOLMRM-SFHVURJKSA-N 2 2 309.413 2.201 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1C[NH+](C1CC1)C2 ZINC001153340668 797324936 /nfs/dbraw/zinc/32/49/36/797324936.db2.gz SWHPGKDLIOLMRM-SFHVURJKSA-N 2 2 309.413 2.201 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1C[NH+](C1CC1)C2 ZINC001153340668 797324941 /nfs/dbraw/zinc/32/49/41/797324941.db2.gz SWHPGKDLIOLMRM-SFHVURJKSA-N 2 2 309.413 2.201 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478463 797344978 /nfs/dbraw/zinc/34/49/78/797344978.db2.gz YTEOPTONLLSEID-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478463 797344982 /nfs/dbraw/zinc/34/49/82/797344982.db2.gz YTEOPTONLLSEID-OAHLLOKOSA-N 2 2 318.465 2.165 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577232 797414031 /nfs/dbraw/zinc/41/40/31/797414031.db2.gz DKKAYACJLXIFHF-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577232 797414036 /nfs/dbraw/zinc/41/40/36/797414036.db2.gz DKKAYACJLXIFHF-JKSUJKDBSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578319 797414678 /nfs/dbraw/zinc/41/46/78/797414678.db2.gz PBRZLQZKRIRPOF-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578319 797414681 /nfs/dbraw/zinc/41/46/81/797414681.db2.gz PBRZLQZKRIRPOF-HOTGVXAUSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083036 797458040 /nfs/dbraw/zinc/45/80/40/797458040.db2.gz CWUWPFWHDKLCFG-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083036 797458043 /nfs/dbraw/zinc/45/80/43/797458043.db2.gz CWUWPFWHDKLCFG-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083036 797458045 /nfs/dbraw/zinc/45/80/45/797458045.db2.gz CWUWPFWHDKLCFG-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083036 797458049 /nfs/dbraw/zinc/45/80/49/797458049.db2.gz CWUWPFWHDKLCFG-UKRRQHHQSA-N 2 2 318.465 2.226 20 30 DEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193196 797706090 /nfs/dbraw/zinc/70/60/90/797706090.db2.gz HZPKBLNHDSVPDG-KGLIPLIRSA-N 2 2 304.438 2.232 20 30 DEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193196 797706095 /nfs/dbraw/zinc/70/60/95/797706095.db2.gz HZPKBLNHDSVPDG-KGLIPLIRSA-N 2 2 304.438 2.232 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571427 798431264 /nfs/dbraw/zinc/43/12/64/798431264.db2.gz ISGRHHJHHDSVBW-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571427 798431269 /nfs/dbraw/zinc/43/12/69/798431269.db2.gz ISGRHHJHHDSVBW-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571427 798431272 /nfs/dbraw/zinc/43/12/72/798431272.db2.gz ISGRHHJHHDSVBW-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571427 798431280 /nfs/dbraw/zinc/43/12/80/798431280.db2.gz ISGRHHJHHDSVBW-GDBMZVCRSA-N 2 2 304.438 2.087 20 30 DEEDLP C#CCC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492702 798695502 /nfs/dbraw/zinc/69/55/02/798695502.db2.gz ZQCKQYHMUBPFFC-UHFFFAOYSA-N 2 2 322.412 2.338 20 30 DEEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492702 798695506 /nfs/dbraw/zinc/69/55/06/798695506.db2.gz ZQCKQYHMUBPFFC-UHFFFAOYSA-N 2 2 322.412 2.338 20 30 DEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434791 798858179 /nfs/dbraw/zinc/85/81/79/798858179.db2.gz VXLOZMHOAZSITH-OAHLLOKOSA-N 2 2 316.449 2.303 20 30 DEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434791 798858186 /nfs/dbraw/zinc/85/81/86/798858186.db2.gz VXLOZMHOAZSITH-OAHLLOKOSA-N 2 2 316.449 2.303 20 30 DEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434791 798858190 /nfs/dbraw/zinc/85/81/90/798858190.db2.gz VXLOZMHOAZSITH-OAHLLOKOSA-N 2 2 316.449 2.303 20 30 DEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434791 798858197 /nfs/dbraw/zinc/85/81/97/798858197.db2.gz VXLOZMHOAZSITH-OAHLLOKOSA-N 2 2 316.449 2.303 20 30 DEEDLP N#CC1(c2cc[nH+]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2)CC1 ZINC001163276871 799295824 /nfs/dbraw/zinc/29/58/24/799295824.db2.gz BQXXGIGTIXJMQW-KSSFIOAISA-N 2 2 312.417 2.207 20 30 DEEDLP N#CC1(c2cc[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2)CC1 ZINC001163276873 799295966 /nfs/dbraw/zinc/29/59/66/799295966.db2.gz BQXXGIGTIXJMQW-RDTXWAMCSA-N 2 2 312.417 2.207 20 30 DEEDLP N#CC1(c2cc[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2)CC1 ZINC001163276867 799296061 /nfs/dbraw/zinc/29/60/61/799296061.db2.gz BQXXGIGTIXJMQW-KBXCAEBGSA-N 2 2 312.417 2.207 20 30 DEEDLP Cc1[nH+]c2c(n1-c1nc(C)c(C#N)cc1Cl)CC[NH2+]CC2 ZINC001165355839 799713491 /nfs/dbraw/zinc/71/34/91/799713491.db2.gz JRJGPZKNYMSLDE-UHFFFAOYSA-N 2 2 301.781 2.097 20 30 DEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165594283 799749384 /nfs/dbraw/zinc/74/93/84/799749384.db2.gz YEKFUIBYWQOIOR-CHWSQXEVSA-N 2 2 322.840 2.142 20 30 DEEDLP C#CCC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756634 799770578 /nfs/dbraw/zinc/77/05/78/799770578.db2.gz QRARITYWDHLIHD-UHFFFAOYSA-N 2 2 310.401 2.076 20 30 DEEDLP C=CC[NH2+]CC[NH+]1CCC2(CCN(C(=O)OCC=C)CC2)CC1 ZINC001204847702 800265996 /nfs/dbraw/zinc/26/59/96/800265996.db2.gz DOWURCHXJPGGEX-UHFFFAOYSA-N 2 2 321.465 2.263 20 30 DEEDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(F)c1C#N ZINC001206201309 800489776 /nfs/dbraw/zinc/48/97/76/800489776.db2.gz WTXPHHHGHDDRCY-UONOGXRCSA-N 2 2 308.376 2.025 20 30 DEEDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(F)c1C#N ZINC001206201309 800489777 /nfs/dbraw/zinc/48/97/77/800489777.db2.gz WTXPHHHGHDDRCY-UONOGXRCSA-N 2 2 308.376 2.025 20 30 DEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427456 800529901 /nfs/dbraw/zinc/52/99/01/800529901.db2.gz GSPBBWKANIDLOX-HNNXBMFYSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659729 800800534 /nfs/dbraw/zinc/80/05/34/800800534.db2.gz KIZAUDWJZFTRBL-BZUAXINKSA-N 2 2 304.438 2.093 20 30 DEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659729 800800540 /nfs/dbraw/zinc/80/05/40/800800540.db2.gz KIZAUDWJZFTRBL-BZUAXINKSA-N 2 2 304.438 2.093 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129646 800847309 /nfs/dbraw/zinc/84/73/09/800847309.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129646 800847317 /nfs/dbraw/zinc/84/73/17/800847317.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129646 800847323 /nfs/dbraw/zinc/84/73/23/800847323.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129646 800847330 /nfs/dbraw/zinc/84/73/30/800847330.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 2 316.449 2.276 20 30 DEEDLP N#CCCN1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949648 801100275 /nfs/dbraw/zinc/10/02/75/801100275.db2.gz MVQSFGQSYLLBBE-IBGZPJMESA-N 2 2 312.461 2.040 20 30 DEEDLP N#CCCN1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949648 801100279 /nfs/dbraw/zinc/10/02/79/801100279.db2.gz MVQSFGQSYLLBBE-IBGZPJMESA-N 2 2 312.461 2.040 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209568705 801222004 /nfs/dbraw/zinc/22/20/04/801222004.db2.gz OVFCGWYSLDIQNY-HUUCEWRRSA-N 2 2 316.449 2.376 20 30 DEEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305377 801373315 /nfs/dbraw/zinc/37/33/15/801373315.db2.gz VZYXIYVKPHBXBP-HNNXBMFYSA-N 2 2 304.438 2.279 20 30 DEEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210437531 801401685 /nfs/dbraw/zinc/40/16/85/801401685.db2.gz KVNGNJZXWDKKFN-QGZVFWFLSA-N 2 2 322.412 2.090 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450190 801568615 /nfs/dbraw/zinc/56/86/15/801568615.db2.gz MVBWFCAHUGQLMN-BRWVUGGUSA-N 2 2 318.465 2.455 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450190 801568623 /nfs/dbraw/zinc/56/86/23/801568623.db2.gz MVBWFCAHUGQLMN-BRWVUGGUSA-N 2 2 318.465 2.455 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215709781 801896156 /nfs/dbraw/zinc/89/61/56/801896156.db2.gz GNSULMJGUYZSPO-BZUAXINKSA-N 2 2 304.438 2.237 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011196 802265424 /nfs/dbraw/zinc/26/54/24/802265424.db2.gz JFIOBQXTRSFIMP-LSDHHAIUSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011196 802265430 /nfs/dbraw/zinc/26/54/30/802265430.db2.gz JFIOBQXTRSFIMP-LSDHHAIUSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603527 802596823 /nfs/dbraw/zinc/59/68/23/802596823.db2.gz OMENZWVLBCKLJM-BFYDXBDKSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603527 802596828 /nfs/dbraw/zinc/59/68/28/802596828.db2.gz OMENZWVLBCKLJM-BFYDXBDKSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603527 802596833 /nfs/dbraw/zinc/59/68/33/802596833.db2.gz OMENZWVLBCKLJM-BFYDXBDKSA-N 2 2 316.449 2.230 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603527 802596837 /nfs/dbraw/zinc/59/68/37/802596837.db2.gz OMENZWVLBCKLJM-BFYDXBDKSA-N 2 2 316.449 2.230 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001328620928 1148817824 /nfs/dbraw/zinc/81/78/24/1148817824.db2.gz MWNCBPJLQADLQK-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001328764721 1148832701 /nfs/dbraw/zinc/83/27/01/1148832701.db2.gz CVJXQTWMUNCLON-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001328764721 1148832702 /nfs/dbraw/zinc/83/27/02/1148832702.db2.gz CVJXQTWMUNCLON-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001328764721 1148832703 /nfs/dbraw/zinc/83/27/03/1148832703.db2.gz CVJXQTWMUNCLON-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001328764721 1148832705 /nfs/dbraw/zinc/83/27/05/1148832705.db2.gz CVJXQTWMUNCLON-DOTOQJQBSA-N 2 2 318.465 2.477 20 30 DEEDLP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001479525396 1061492371 /nfs/dbraw/zinc/49/23/71/1061492371.db2.gz MAOLQWFAVIWMGH-DZGCQCFKSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001479732934 1061657030 /nfs/dbraw/zinc/65/70/30/1061657030.db2.gz ASTHQNNNFUPEHU-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001479732934 1061657027 /nfs/dbraw/zinc/65/70/27/1061657027.db2.gz ASTHQNNNFUPEHU-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001479732934 1061657036 /nfs/dbraw/zinc/65/70/36/1061657036.db2.gz ASTHQNNNFUPEHU-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP 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OXJROPNAKRKCNW-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265683655 1144727072 /nfs/dbraw/zinc/72/70/72/1144727072.db2.gz DUVCHCSCCZOWCX-JKSUJKDBSA-N 2 2 304.438 2.381 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266028756 1144794171 /nfs/dbraw/zinc/79/41/71/1144794171.db2.gz CPVYZJWIXSBJFM-CABCVRRESA-N 2 2 318.465 2.480 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966900 1147024620 /nfs/dbraw/zinc/02/46/20/1147024620.db2.gz JUKWIYWCGKYLDE-HOTGVXAUSA-N 2 2 304.438 2.161 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966900 1147024622 /nfs/dbraw/zinc/02/46/22/1147024622.db2.gz JUKWIYWCGKYLDE-HOTGVXAUSA-N 2 2 304.438 2.161 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001366079614 1147044658 /nfs/dbraw/zinc/04/46/58/1147044658.db2.gz GUVGIHWHDUMYIS-HNNXBMFYSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001366079614 1147044663 /nfs/dbraw/zinc/04/46/63/1147044663.db2.gz GUVGIHWHDUMYIS-HNNXBMFYSA-N 2 2 324.856 2.196 20 30 DEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316760808 1147595025 /nfs/dbraw/zinc/59/50/25/1147595025.db2.gz PVYRCWJCUISQRS-BBWFWOEESA-N 2 2 316.449 2.018 20 30 DEEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001316760808 1147595029 /nfs/dbraw/zinc/59/50/29/1147595029.db2.gz PVYRCWJCUISQRS-BBWFWOEESA-N 2 2 316.449 2.018 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001366890999 1147610321 /nfs/dbraw/zinc/61/03/21/1147610321.db2.gz CUIPQSGPJRAVEG-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001366890999 1147610323 /nfs/dbraw/zinc/61/03/23/1147610323.db2.gz CUIPQSGPJRAVEG-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001366890999 1147610326 /nfs/dbraw/zinc/61/03/26/1147610326.db2.gz CUIPQSGPJRAVEG-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001366890999 1147610329 /nfs/dbraw/zinc/61/03/29/1147610329.db2.gz CUIPQSGPJRAVEG-HUUCEWRRSA-N 2 2 313.873 2.194 20 30 DEEDLP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317008146 1147647660 /nfs/dbraw/zinc/64/76/60/1147647660.db2.gz UNTMQSCDEIJRCU-MRXNPFEDSA-N 2 2 316.449 2.198 20 30 DEEDLP C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181417661 199293404 /nfs/dbraw/zinc/29/34/04/199293404.db2.gz QVXVKQCBAQMXNY-UHFFFAOYSA-N 3 2 312.461 2.206 20 30 DEEDLP CC(C)[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000328703499 539910056 /nfs/dbraw/zinc/91/00/56/539910056.db2.gz OGDAVXIAQQRABT-UHFFFAOYSA-N 2 2 319.453 2.376 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835676 355107924 /nfs/dbraw/zinc/10/79/24/355107924.db2.gz GJFIZXWPVVKUQO-QGZVFWFLSA-N 2 2 307.482 2.219 20 30 DEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835676 355107925 /nfs/dbraw/zinc/10/79/25/355107925.db2.gz GJFIZXWPVVKUQO-QGZVFWFLSA-N 2 2 307.482 2.219 20 30 DEEDLP CC[N@H+](CCC#N)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081515177 355434485 /nfs/dbraw/zinc/43/44/85/355434485.db2.gz FBEXMQVRDUKCSZ-OAHLLOKOSA-N 2 2 300.406 2.250 20 30 DEEDLP CC[N@@H+](CCC#N)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081515177 355434488 /nfs/dbraw/zinc/43/44/88/355434488.db2.gz FBEXMQVRDUKCSZ-OAHLLOKOSA-N 2 2 300.406 2.250 20 30 DEEDLP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1C[C@@H]1C ZINC000083877290 355471307 /nfs/dbraw/zinc/47/13/07/355471307.db2.gz SENATRPRQHIAAC-WFASDCNBSA-N 2 2 315.396 2.475 20 30 DEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000088717151 355518416 /nfs/dbraw/zinc/51/84/16/355518416.db2.gz MNPHIAXVVSXNTN-APWZRJJASA-N 2 2 312.461 2.084 20 30 DEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000088717151 355518419 /nfs/dbraw/zinc/51/84/19/355518419.db2.gz MNPHIAXVVSXNTN-APWZRJJASA-N 2 2 312.461 2.084 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000590779012 357610363 /nfs/dbraw/zinc/61/03/63/357610363.db2.gz JBGUFSNVUMSABF-MJGOQNOKSA-N 2 2 313.445 2.372 20 30 DEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000590779012 357610367 /nfs/dbraw/zinc/61/03/67/357610367.db2.gz JBGUFSNVUMSABF-MJGOQNOKSA-N 2 2 313.445 2.372 20 30 DEEDLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000593999209 358187179 /nfs/dbraw/zinc/18/71/79/358187179.db2.gz AKUYGLDNKVBNKG-OAHLLOKOSA-N 2 2 301.434 2.444 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609258294 361293358 /nfs/dbraw/zinc/29/33/58/361293358.db2.gz QZTKSZXMZUBTIC-INIZCTEOSA-N 2 2 309.373 2.030 20 30 DEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609258294 361293361 /nfs/dbraw/zinc/29/33/61/361293361.db2.gz QZTKSZXMZUBTIC-INIZCTEOSA-N 2 2 309.373 2.030 20 30 DEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000610946937 361496344 /nfs/dbraw/zinc/49/63/44/361496344.db2.gz JXODIKAOONEYTD-QGZVFWFLSA-N 2 2 317.408 2.430 20 30 DEEDLP C=CCc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(OC)c1O ZINC000622004920 364630744 /nfs/dbraw/zinc/63/07/44/364630744.db2.gz WIWPRJDBBUASQY-CRAIPNDOSA-N 2 2 302.418 2.443 20 30 DEEDLP C=CCc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(OC)c1O ZINC000622004920 364630753 /nfs/dbraw/zinc/63/07/53/364630753.db2.gz WIWPRJDBBUASQY-CRAIPNDOSA-N 2 2 302.418 2.443 20 30 DEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000275443159 212335326 /nfs/dbraw/zinc/33/53/26/212335326.db2.gz GANVUDUSKPHLOT-YOEHRIQHSA-N 2 2 314.364 2.441 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267440800 206069415 /nfs/dbraw/zinc/06/94/15/206069415.db2.gz OXRLFHBHZXZFFF-GJZGRUSLSA-N 2 2 304.438 2.402 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267440800 206069419 /nfs/dbraw/zinc/06/94/19/206069419.db2.gz OXRLFHBHZXZFFF-GJZGRUSLSA-N 2 2 304.438 2.402 20 30 DEEDLP CN(CC[N@H+](C)Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC000349063606 146346364 /nfs/dbraw/zinc/34/63/64/146346364.db2.gz QXDLEPNUFMTCIB-UHFFFAOYSA-N 2 2 306.479 2.078 20 30 DEEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC000349063606 146346366 /nfs/dbraw/zinc/34/63/66/146346366.db2.gz QXDLEPNUFMTCIB-UHFFFAOYSA-N 2 2 306.479 2.078 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC000349063606 146346368 /nfs/dbraw/zinc/34/63/68/146346368.db2.gz QXDLEPNUFMTCIB-UHFFFAOYSA-N 2 2 306.479 2.078 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC000349063606 146346369 /nfs/dbraw/zinc/34/63/69/146346369.db2.gz QXDLEPNUFMTCIB-UHFFFAOYSA-N 2 2 306.479 2.078 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004969 401777687 /nfs/dbraw/zinc/77/76/87/401777687.db2.gz CNVOSOQSMDHAPL-DLBZAZTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004969 401777689 /nfs/dbraw/zinc/77/76/89/401777689.db2.gz CNVOSOQSMDHAPL-DLBZAZTESA-N 2 2 309.498 2.463 20 30 DEEDLP C=C[C@](C)(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000134996593 401923282 /nfs/dbraw/zinc/92/32/82/401923282.db2.gz PCYLEZTUFIHHJH-GOSISDBHSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CCCOCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000154916716 402238511 /nfs/dbraw/zinc/23/85/11/402238511.db2.gz DIPZLRFUWLIRSF-UHFFFAOYSA-N 2 2 310.361 2.215 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000177913843 402443315 /nfs/dbraw/zinc/44/33/15/402443315.db2.gz VSCZALXIGAXEHY-CQSZACIVSA-N 2 2 322.474 2.391 20 30 DEEDLP C#CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000181096987 402635131 /nfs/dbraw/zinc/63/51/31/402635131.db2.gz YLLKBAFGPSVPLX-RDJZCZTQSA-N 2 2 303.475 2.248 20 30 DEEDLP C#CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000181096987 402635133 /nfs/dbraw/zinc/63/51/33/402635133.db2.gz YLLKBAFGPSVPLX-RDJZCZTQSA-N 2 2 303.475 2.248 20 30 DEEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000184261958 402831301 /nfs/dbraw/zinc/83/13/01/402831301.db2.gz PVAWBTNWLFIQAW-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000184261958 402831303 /nfs/dbraw/zinc/83/13/03/402831303.db2.gz PVAWBTNWLFIQAW-UHFFFAOYSA-N 2 2 315.461 2.147 20 30 DEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC000280529428 403009840 /nfs/dbraw/zinc/00/98/40/403009840.db2.gz NLAFBGXQJXTXNE-QGZVFWFLSA-N 2 2 318.465 2.168 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430568 403381446 /nfs/dbraw/zinc/38/14/46/403381446.db2.gz CWYVGCRAIWJCRC-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430568 403381450 /nfs/dbraw/zinc/38/14/50/403381450.db2.gz CWYVGCRAIWJCRC-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339430568 403381453 /nfs/dbraw/zinc/38/14/53/403381453.db2.gz CWYVGCRAIWJCRC-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339430568 403381456 /nfs/dbraw/zinc/38/14/56/403381456.db2.gz CWYVGCRAIWJCRC-AEFFLSMTSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346315511 403583931 /nfs/dbraw/zinc/58/39/31/403583931.db2.gz SRFQRNYRLYCAGW-OAHLLOKOSA-N 2 2 321.490 2.289 20 30 DEEDLP C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346315511 403583936 /nfs/dbraw/zinc/58/39/36/403583936.db2.gz SRFQRNYRLYCAGW-OAHLLOKOSA-N 2 2 321.490 2.289 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000295690846 404006079 /nfs/dbraw/zinc/00/60/79/404006079.db2.gz DJTDJHLMKMKRHT-QLFBSQMISA-N 2 2 300.406 2.293 20 30 DEEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000295690846 404006086 /nfs/dbraw/zinc/00/60/86/404006086.db2.gz DJTDJHLMKMKRHT-QLFBSQMISA-N 2 2 300.406 2.293 20 30 DEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329184263 404257584 /nfs/dbraw/zinc/25/75/84/404257584.db2.gz PSWIXWRDOKRPHL-RBSFLKMASA-N 2 2 317.437 2.478 20 30 DEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329184263 404257586 /nfs/dbraw/zinc/25/75/86/404257586.db2.gz PSWIXWRDOKRPHL-RBSFLKMASA-N 2 2 317.437 2.478 20 30 DEEDLP Cn1cc[nH+]c1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329382812 404320294 /nfs/dbraw/zinc/32/02/94/404320294.db2.gz OGMZDQBAVSZSOT-CYBMUJFWSA-N 2 2 308.451 2.094 20 30 DEEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210336 404966663 /nfs/dbraw/zinc/96/66/63/404966663.db2.gz CGHRCHBQVKMSFJ-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210336 404966671 /nfs/dbraw/zinc/96/66/71/404966671.db2.gz CGHRCHBQVKMSFJ-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367210336 404966678 /nfs/dbraw/zinc/96/66/78/404966678.db2.gz CGHRCHBQVKMSFJ-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367210336 404966684 /nfs/dbraw/zinc/96/66/84/404966684.db2.gz CGHRCHBQVKMSFJ-SJPCQFCGSA-N 2 2 312.417 2.054 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420302430 405311456 /nfs/dbraw/zinc/31/14/56/405311456.db2.gz GBKWZFCFYQPKOT-XIRDDKMYSA-N 2 2 301.434 2.143 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420302430 405311458 /nfs/dbraw/zinc/31/14/58/405311458.db2.gz GBKWZFCFYQPKOT-XIRDDKMYSA-N 2 2 301.434 2.143 20 30 DEEDLP N#CC1(F)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420946189 405413072 /nfs/dbraw/zinc/41/30/72/405413072.db2.gz AJMCEGOZVFUHRV-UHFFFAOYSA-N 2 2 317.408 2.346 20 30 DEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449549311 405607740 /nfs/dbraw/zinc/60/77/40/405607740.db2.gz WPBHGQNNNBJVMZ-MSOLQXFVSA-N 2 2 301.434 2.369 20 30 DEEDLP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000551705594 406630595 /nfs/dbraw/zinc/63/05/95/406630595.db2.gz DKWXBTAHDWFDNY-UHFFFAOYSA-N 2 2 314.437 2.203 20 30 DEEDLP C=C(C)COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccc1OC ZINC000131365510 196162754 /nfs/dbraw/zinc/16/27/54/196162754.db2.gz WCCFWPKWIHNEPM-SFHVURJKSA-N 2 2 322.449 2.052 20 30 DEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCC1)c1cccc(C(F)(F)F)c1 ZINC000263174158 225291890 /nfs/dbraw/zinc/29/18/90/225291890.db2.gz SLFOHSYNFMPXPZ-ZDUSSCGKSA-N 2 2 314.355 2.329 20 30 DEEDLP C=CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000651806129 425147915 /nfs/dbraw/zinc/14/79/15/425147915.db2.gz STPYMVOXPURFSP-DUQJVZAFSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000651806129 425147916 /nfs/dbraw/zinc/14/79/16/425147916.db2.gz STPYMVOXPURFSP-DUQJVZAFSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)nn1 ZINC000657413651 425329423 /nfs/dbraw/zinc/32/94/23/425329423.db2.gz PPDQXVZALXWYAO-INIZCTEOSA-N 2 2 305.470 2.312 20 30 DEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC000657413651 425329426 /nfs/dbraw/zinc/32/94/26/425329426.db2.gz PPDQXVZALXWYAO-INIZCTEOSA-N 2 2 305.470 2.312 20 30 DEEDLP C=CC[C@@]1(C(=O)N(C)CCCc2[nH+]ccn2CCC)CCC[NH2+]1 ZINC000662802639 425739894 /nfs/dbraw/zinc/73/98/94/425739894.db2.gz KUBGNHJUWCXGIU-SFHVURJKSA-N 2 2 318.465 2.382 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001423584971 1173428901 /nfs/dbraw/zinc/42/89/01/1173428901.db2.gz PJUPNLHJAYDPRJ-HUUCEWRRSA-N 2 2 315.889 2.248 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001423584971 1173428903 /nfs/dbraw/zinc/42/89/03/1173428903.db2.gz PJUPNLHJAYDPRJ-HUUCEWRRSA-N 2 2 315.889 2.248 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001423584971 1173428909 /nfs/dbraw/zinc/42/89/09/1173428909.db2.gz PJUPNLHJAYDPRJ-HUUCEWRRSA-N 2 2 315.889 2.248 20 30 DEEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001423584971 1173428913 /nfs/dbraw/zinc/42/89/13/1173428913.db2.gz PJUPNLHJAYDPRJ-HUUCEWRRSA-N 2 2 315.889 2.248 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955247 782077222 /nfs/dbraw/zinc/07/72/22/782077222.db2.gz ZLPMRVBXXJQJEC-PBHICJAKSA-N 2 2 310.401 2.251 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955247 782077230 /nfs/dbraw/zinc/07/72/30/782077230.db2.gz ZLPMRVBXXJQJEC-PBHICJAKSA-N 2 2 310.401 2.251 20 30 DEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000576645001 341856863 /nfs/dbraw/zinc/85/68/63/341856863.db2.gz QKQBWABKIQPGFP-IBGZPJMESA-N 2 2 323.444 2.235 20 30 DEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451614460 534608848 /nfs/dbraw/zinc/60/88/48/534608848.db2.gz QPPUOACWTAYLKA-QRVBRYPASA-N 2 2 316.445 2.211 20 30 DEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451614460 534608854 /nfs/dbraw/zinc/60/88/54/534608854.db2.gz QPPUOACWTAYLKA-QRVBRYPASA-N 2 2 316.445 2.211 20 30 DEEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000124434972 522802685 /nfs/dbraw/zinc/80/26/85/522802685.db2.gz UEIUMIWABGCBOC-UHFFFAOYSA-N 2 2 311.389 2.105 20 30 DEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000124434972 522802692 /nfs/dbraw/zinc/80/26/92/522802692.db2.gz UEIUMIWABGCBOC-UHFFFAOYSA-N 2 2 311.389 2.105 20 30 DEEDLP C#CCSCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181985135 527151275 /nfs/dbraw/zinc/15/12/75/527151275.db2.gz QFTOKOKFADORQW-UHFFFAOYSA-N 2 2 313.470 2.479 20 30 DEEDLP C=CCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422216437 527217536 /nfs/dbraw/zinc/21/75/36/527217536.db2.gz YZSAJBCTSCENQI-UHFFFAOYSA-N 2 2 322.497 2.154 20 30 DEEDLP C=CCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422216437 527217543 /nfs/dbraw/zinc/21/75/43/527217543.db2.gz YZSAJBCTSCENQI-UHFFFAOYSA-N 2 2 322.497 2.154 20 30 DEEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001327513223 1148574701 /nfs/dbraw/zinc/57/47/01/1148574701.db2.gz PMFZNSDZWBDDOM-QZTJIDSGSA-N 2 2 315.461 2.056 20 30 DEEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001327513223 1148574715 /nfs/dbraw/zinc/57/47/15/1148574715.db2.gz PMFZNSDZWBDDOM-QZTJIDSGSA-N 2 2 315.461 2.056 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001379617481 1152654134 /nfs/dbraw/zinc/65/41/34/1152654134.db2.gz FFTJXMRLAYFLHZ-SQWLQELKSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001379617481 1152654136 /nfs/dbraw/zinc/65/41/36/1152654136.db2.gz FFTJXMRLAYFLHZ-SQWLQELKSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447214 625772652 /nfs/dbraw/zinc/77/26/52/625772652.db2.gz SMAINEWODRXKGO-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447214 625772656 /nfs/dbraw/zinc/77/26/56/625772656.db2.gz SMAINEWODRXKGO-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447214 625772664 /nfs/dbraw/zinc/77/26/64/625772664.db2.gz SMAINEWODRXKGO-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447214 625772670 /nfs/dbraw/zinc/77/26/70/625772670.db2.gz SMAINEWODRXKGO-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652629 625953306 /nfs/dbraw/zinc/95/33/06/625953306.db2.gz RBGSYRDNCVCWCY-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652629 625953308 /nfs/dbraw/zinc/95/33/08/625953308.db2.gz RBGSYRDNCVCWCY-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974741391 633282323 /nfs/dbraw/zinc/28/23/23/633282323.db2.gz NBNPZMAOJUAOHH-HNNXBMFYSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974741391 633282328 /nfs/dbraw/zinc/28/23/28/633282328.db2.gz NBNPZMAOJUAOHH-HNNXBMFYSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980194831 634882306 /nfs/dbraw/zinc/88/23/06/634882306.db2.gz ZLVPPBZZTDBEDM-XHSDSOJGSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980194831 634882310 /nfs/dbraw/zinc/88/23/10/634882310.db2.gz ZLVPPBZZTDBEDM-XHSDSOJGSA-N 2 2 316.449 2.135 20 30 DEEDLP C#CCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000981704491 635598430 /nfs/dbraw/zinc/59/84/30/635598430.db2.gz HZTJXOKLIVBPSB-UHFFFAOYSA-N 2 2 322.412 2.044 20 30 DEEDLP C#CCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000981704491 635598434 /nfs/dbraw/zinc/59/84/34/635598434.db2.gz HZTJXOKLIVBPSB-UHFFFAOYSA-N 2 2 322.412 2.044 20 30 DEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001003293980 635934811 /nfs/dbraw/zinc/93/48/11/635934811.db2.gz RRGOENTYWKUMQV-UHFFFAOYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004594376 636496408 /nfs/dbraw/zinc/49/64/08/636496408.db2.gz XSDMKILZKFDKCU-MRXNPFEDSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004594376 636496412 /nfs/dbraw/zinc/49/64/12/636496412.db2.gz XSDMKILZKFDKCU-MRXNPFEDSA-N 2 2 316.449 2.231 20 30 DEEDLP COC1(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000842036253 650631452 /nfs/dbraw/zinc/63/14/52/650631452.db2.gz JVSRVTRIUVPKRI-UHFFFAOYSA-N 2 2 305.422 2.344 20 30 DEEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634339 641174395 /nfs/dbraw/zinc/17/43/95/641174395.db2.gz BKHYHGHEHNFKHN-HOCLYGCPSA-N 2 2 310.401 2.251 20 30 DEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000778633353 642414008 /nfs/dbraw/zinc/41/40/08/642414008.db2.gz BTYNWALCZXUMKJ-SJORKVTESA-N 2 2 306.450 2.138 20 30 DEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000778633353 642414011 /nfs/dbraw/zinc/41/40/11/642414011.db2.gz BTYNWALCZXUMKJ-SJORKVTESA-N 2 2 306.450 2.138 20 30 DEEDLP COCCN(C)[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000794973174 644501769 /nfs/dbraw/zinc/50/17/69/644501769.db2.gz CMMVPNQNTITYGZ-UHFFFAOYSA-N 2 2 324.856 2.004 20 30 DEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993346720 647622976 /nfs/dbraw/zinc/62/29/76/647622976.db2.gz HFJRYLQRQVXDTG-DOTOQJQBSA-N 2 2 324.428 2.249 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993346720 647622978 /nfs/dbraw/zinc/62/29/78/647622978.db2.gz HFJRYLQRQVXDTG-DOTOQJQBSA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993353061 647624873 /nfs/dbraw/zinc/62/48/73/647624873.db2.gz QPUGEKBTIZGZFZ-DOTOQJQBSA-N 2 2 324.428 2.249 20 30 DEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993353061 647624876 /nfs/dbraw/zinc/62/48/76/647624876.db2.gz QPUGEKBTIZGZFZ-DOTOQJQBSA-N 2 2 324.428 2.249 20 30 DEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838152 648954248 /nfs/dbraw/zinc/95/42/48/648954248.db2.gz FLVPHYVDVNZYBU-INIZCTEOSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838152 648954251 /nfs/dbraw/zinc/95/42/51/648954251.db2.gz FLVPHYVDVNZYBU-INIZCTEOSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 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RPUFRGGHNDKBID-UHFFFAOYSA-N 2 2 324.428 2.448 20 30 DEEDLP CSc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1C#N ZINC000925774464 693339867 /nfs/dbraw/zinc/33/98/67/693339867.db2.gz VLUZKDVNFATNLA-IUODEOHRSA-N 2 2 305.447 2.137 20 30 DEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC)cc1 ZINC000926962384 693536289 /nfs/dbraw/zinc/53/62/89/693536289.db2.gz LNFZEKCHVDUPQQ-QAPCUYQASA-N 2 2 304.434 2.316 20 30 DEEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480079549 1151554245 /nfs/dbraw/zinc/55/42/45/1151554245.db2.gz RQVAUEPJXCFSPT-OAHLLOKOSA-N 2 2 324.428 2.370 20 30 DEEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480079549 1151554250 /nfs/dbraw/zinc/55/42/50/1151554250.db2.gz RQVAUEPJXCFSPT-OAHLLOKOSA-N 2 2 324.428 2.370 20 30 DEEDLP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC001356610407 1152094774 /nfs/dbraw/zinc/09/47/74/1152094774.db2.gz OTWFFVLBVFVLNK-INIZCTEOSA-N 2 2 308.372 2.076 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001381539497 1153115146 /nfs/dbraw/zinc/11/51/46/1153115146.db2.gz WDVUAUJLFXLSRJ-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001381539497 1153115148 /nfs/dbraw/zinc/11/51/48/1153115148.db2.gz WDVUAUJLFXLSRJ-CQSZACIVSA-N 2 2 313.873 2.051 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001393877196 1158038357 /nfs/dbraw/zinc/03/83/57/1158038357.db2.gz NIXBGINTHKLJHY-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001393877196 1158038360 /nfs/dbraw/zinc/03/83/60/1158038360.db2.gz NIXBGINTHKLJHY-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001393877196 1158038365 /nfs/dbraw/zinc/03/83/65/1158038365.db2.gz NIXBGINTHKLJHY-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393877196 1158038374 /nfs/dbraw/zinc/03/83/74/1158038374.db2.gz NIXBGINTHKLJHY-GJZGRUSLSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001394694725 1158686428 /nfs/dbraw/zinc/68/64/28/1158686428.db2.gz OVCAWQIDKAHCAS-UKRRQHHQSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001394694725 1158686432 /nfs/dbraw/zinc/68/64/32/1158686432.db2.gz OVCAWQIDKAHCAS-UKRRQHHQSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001394694725 1158686439 /nfs/dbraw/zinc/68/64/39/1158686439.db2.gz OVCAWQIDKAHCAS-UKRRQHHQSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001394694725 1158686445 /nfs/dbraw/zinc/68/64/45/1158686445.db2.gz OVCAWQIDKAHCAS-UKRRQHHQSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401108616 1161875127 /nfs/dbraw/zinc/87/51/27/1161875127.db2.gz ROKAEQDEHYIANQ-NSHDSACASA-N 2 2 320.824 2.351 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001405168049 1163983862 /nfs/dbraw/zinc/98/38/62/1163983862.db2.gz AUKZYBGXQKERHP-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001405168049 1163983872 /nfs/dbraw/zinc/98/38/72/1163983872.db2.gz AUKZYBGXQKERHP-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001405168049 1163983849 /nfs/dbraw/zinc/98/38/49/1163983849.db2.gz AUKZYBGXQKERHP-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001405168049 1163983854 /nfs/dbraw/zinc/98/38/54/1163983854.db2.gz AUKZYBGXQKERHP-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001406653008 1164765117 /nfs/dbraw/zinc/76/51/17/1164765117.db2.gz UXZYDVCLLUHYFI-CABCVRRESA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001406653008 1164765122 /nfs/dbraw/zinc/76/51/22/1164765122.db2.gz UXZYDVCLLUHYFI-CABCVRRESA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001406653008 1164765127 /nfs/dbraw/zinc/76/51/27/1164765127.db2.gz UXZYDVCLLUHYFI-CABCVRRESA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001406653008 1164765134 /nfs/dbraw/zinc/76/51/34/1164765134.db2.gz UXZYDVCLLUHYFI-CABCVRRESA-N 2 2 315.889 2.297 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001420588102 1169814644 /nfs/dbraw/zinc/81/46/44/1169814644.db2.gz AJBKSZOXJGMWGL-LBPRGKRZSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001420588102 1169814647 /nfs/dbraw/zinc/81/46/47/1169814647.db2.gz AJBKSZOXJGMWGL-LBPRGKRZSA-N 2 2 320.824 2.445 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423471819 1173365336 /nfs/dbraw/zinc/36/53/36/1173365336.db2.gz SIKMUEDTRBWAJX-AWEZNQCLSA-N 2 2 324.856 2.260 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001438248414 1180278205 /nfs/dbraw/zinc/27/82/05/1180278205.db2.gz BDRVXKMPLVQCNK-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001438248414 1180278232 /nfs/dbraw/zinc/27/82/32/1180278232.db2.gz BDRVXKMPLVQCNK-OAHLLOKOSA-N 2 2 313.873 2.148 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443859446 1183170383 /nfs/dbraw/zinc/17/03/83/1183170383.db2.gz PXOWWVKCWADOPF-AWEZNQCLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001443859446 1183170386 /nfs/dbraw/zinc/17/03/86/1183170386.db2.gz PXOWWVKCWADOPF-AWEZNQCLSA-N 2 2 313.873 2.004 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127293303 782510578 /nfs/dbraw/zinc/51/05/78/782510578.db2.gz UFJRFZUTSSDYCV-CYBMUJFWSA-N 2 2 300.406 2.317 20 30 DEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491286 782742668 /nfs/dbraw/zinc/74/26/68/782742668.db2.gz IJZLNVFFESVYTH-NVXWUHKLSA-N 2 2 324.428 2.356 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089410766 783078651 /nfs/dbraw/zinc/07/86/51/783078651.db2.gz ULTIGWABIXKQMO-RRFJBIMHSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089410766 783078657 /nfs/dbraw/zinc/07/86/57/783078657.db2.gz ULTIGWABIXKQMO-RRFJBIMHSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089410766 783078662 /nfs/dbraw/zinc/07/86/62/783078662.db2.gz ULTIGWABIXKQMO-RRFJBIMHSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089410766 783078668 /nfs/dbraw/zinc/07/86/68/783078668.db2.gz ULTIGWABIXKQMO-RRFJBIMHSA-N 2 2 316.449 2.306 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548619 783198311 /nfs/dbraw/zinc/19/83/11/783198311.db2.gz NBYMBMHBXJCAEN-OAHLLOKOSA-N 2 2 318.465 2.444 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548619 783198315 /nfs/dbraw/zinc/19/83/15/783198315.db2.gz NBYMBMHBXJCAEN-OAHLLOKOSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548722 783198408 /nfs/dbraw/zinc/19/84/08/783198408.db2.gz PLSCEOYUURMVAL-HNNXBMFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548722 783198414 /nfs/dbraw/zinc/19/84/14/783198414.db2.gz PLSCEOYUURMVAL-HNNXBMFYSA-N 2 2 318.465 2.444 20 30 DEEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352265 777104906 /nfs/dbraw/zinc/10/49/06/777104906.db2.gz MMLRARLYVBBRTA-HUUCEWRRSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728833 778050718 /nfs/dbraw/zinc/05/07/18/778050718.db2.gz CCXNCSGCXDAKHS-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211733890 778808481 /nfs/dbraw/zinc/80/84/81/778808481.db2.gz GBLJBPFFBUXXEH-ZWKOTPCHSA-N 2 2 324.428 2.043 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001088418270 780096423 /nfs/dbraw/zinc/09/64/23/780096423.db2.gz LDUXSVUMDFLSLV-CQSZACIVSA-N 2 2 324.856 2.374 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001088420125 780099992 /nfs/dbraw/zinc/09/99/92/780099992.db2.gz IRERFNNLQFERFP-INIZCTEOSA-N 2 2 318.465 2.290 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903350 783807120 /nfs/dbraw/zinc/80/71/20/783807120.db2.gz FJLUXDFFOSOJEM-HOCLYGCPSA-N 2 2 318.465 2.329 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903350 783807126 /nfs/dbraw/zinc/80/71/26/783807126.db2.gz FJLUXDFFOSOJEM-HOCLYGCPSA-N 2 2 318.465 2.329 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085597339 783870505 /nfs/dbraw/zinc/87/05/05/783870505.db2.gz VZNJCXRHJVSOHO-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085597339 783870513 /nfs/dbraw/zinc/87/05/13/783870513.db2.gz VZNJCXRHJVSOHO-MRXNPFEDSA-N 2 2 312.417 2.365 20 30 DEEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994904 784295517 /nfs/dbraw/zinc/29/55/17/784295517.db2.gz XWWBPMDYXYSVAD-HNNXBMFYSA-N 2 2 319.449 2.454 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994904 784295521 /nfs/dbraw/zinc/29/55/21/784295521.db2.gz XWWBPMDYXYSVAD-HNNXBMFYSA-N 2 2 319.449 2.454 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(C)C ZINC000968893389 784639436 /nfs/dbraw/zinc/63/94/36/784639436.db2.gz JUGWAXFJDNZPIG-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C ZINC000968893389 784639439 /nfs/dbraw/zinc/63/94/39/784639439.db2.gz JUGWAXFJDNZPIG-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(C)C ZINC000968893389 784639442 /nfs/dbraw/zinc/63/94/42/784639442.db2.gz JUGWAXFJDNZPIG-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(C)C ZINC000968893389 784639443 /nfs/dbraw/zinc/63/94/43/784639443.db2.gz JUGWAXFJDNZPIG-ROUUACIJSA-N 2 2 319.493 2.101 20 30 DEEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968919948 784650417 /nfs/dbraw/zinc/65/04/17/784650417.db2.gz MHOOIESHDNKRJB-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968919948 784650420 /nfs/dbraw/zinc/65/04/20/784650420.db2.gz MHOOIESHDNKRJB-OAHLLOKOSA-N 2 2 310.401 2.171 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368059 784900324 /nfs/dbraw/zinc/90/03/24/784900324.db2.gz ADYNEKXWWVPVLU-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001007368059 784900328 /nfs/dbraw/zinc/90/03/28/784900328.db2.gz ADYNEKXWWVPVLU-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001007368059 784900333 /nfs/dbraw/zinc/90/03/33/784900333.db2.gz ADYNEKXWWVPVLU-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001007368059 784900334 /nfs/dbraw/zinc/90/03/34/784900334.db2.gz ADYNEKXWWVPVLU-QLFBSQMISA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008582884 785246266 /nfs/dbraw/zinc/24/62/66/785246266.db2.gz OLFBYXOOGXGTAE-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008582884 785246271 /nfs/dbraw/zinc/24/62/71/785246271.db2.gz OLFBYXOOGXGTAE-ARFHVFGLSA-N 2 2 316.449 2.070 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071847 785376735 /nfs/dbraw/zinc/37/67/35/785376735.db2.gz HDUZQEJFGRNJDS-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009071847 785376746 /nfs/dbraw/zinc/37/67/46/785376746.db2.gz HDUZQEJFGRNJDS-MRXNPFEDSA-N 2 2 310.401 2.253 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107079 787934836 /nfs/dbraw/zinc/93/48/36/787934836.db2.gz XNFSWJSSKFLVIC-UONOGXRCSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107079 787934839 /nfs/dbraw/zinc/93/48/39/787934839.db2.gz XNFSWJSSKFLVIC-UONOGXRCSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107079 787934846 /nfs/dbraw/zinc/93/48/46/787934846.db2.gz XNFSWJSSKFLVIC-UONOGXRCSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266746 787998137 /nfs/dbraw/zinc/99/81/37/787998137.db2.gz ZLHXOBGABKZDES-UONOGXRCSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266746 787998140 /nfs/dbraw/zinc/99/81/40/787998140.db2.gz ZLHXOBGABKZDES-UONOGXRCSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409978 788064082 /nfs/dbraw/zinc/06/40/82/788064082.db2.gz IAYWAFLXARGOLR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409978 788064086 /nfs/dbraw/zinc/06/40/86/788064086.db2.gz IAYWAFLXARGOLR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409978 788064094 /nfs/dbraw/zinc/06/40/94/788064094.db2.gz IAYWAFLXARGOLR-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409978 788064099 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314.433 2.060 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001098881138 791972808 /nfs/dbraw/zinc/97/28/08/791972808.db2.gz HOXALWMERPHBDC-BORJPKMPSA-N 2 2 314.433 2.060 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001098881138 791972813 /nfs/dbraw/zinc/97/28/13/791972813.db2.gz HOXALWMERPHBDC-BORJPKMPSA-N 2 2 314.433 2.060 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001098881138 791972823 /nfs/dbraw/zinc/97/28/23/791972823.db2.gz HOXALWMERPHBDC-BORJPKMPSA-N 2 2 314.433 2.060 20 30 DEEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357974 792182508 /nfs/dbraw/zinc/18/25/08/792182508.db2.gz CZDTXYDWKNNLII-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357974 792182514 /nfs/dbraw/zinc/18/25/14/792182514.db2.gz CZDTXYDWKNNLII-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171410365 792376159 /nfs/dbraw/zinc/37/61/59/792376159.db2.gz ULBNDXTVQZVLJG-DLBZAZTESA-N 2 2 318.465 2.368 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604728 793146429 /nfs/dbraw/zinc/14/64/29/793146429.db2.gz JPTRKVHUDDKGRF-HZPDHXFCSA-N 2 2 318.465 2.286 20 30 DEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942869 793268781 /nfs/dbraw/zinc/26/87/81/793268781.db2.gz TZNHTMLAULERJG-INIZCTEOSA-N 2 2 324.428 2.384 20 30 DEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175228713 794162416 /nfs/dbraw/zinc/16/24/16/794162416.db2.gz YAAHOZHGCVIDGX-KBPBESRZSA-N 2 2 304.438 2.280 20 30 DEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176393384 794413419 /nfs/dbraw/zinc/41/34/19/794413419.db2.gz QSOZTYBMWIYKDZ-OAHLLOKOSA-N 2 2 306.454 2.193 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731896 794460890 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C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181279304 795451663 /nfs/dbraw/zinc/45/16/63/795451663.db2.gz PBTZNYUTXIRLGD-MLGOLLRUSA-N 2 2 324.856 2.169 20 30 DEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001121254843 795607736 /nfs/dbraw/zinc/60/77/36/795607736.db2.gz DRANLEFANZWGEP-BSGOTLCWSA-N 2 2 314.433 2.106 20 30 DEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001121254843 795607742 /nfs/dbraw/zinc/60/77/42/795607742.db2.gz DRANLEFANZWGEP-BSGOTLCWSA-N 2 2 314.433 2.106 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182768026 795751802 /nfs/dbraw/zinc/75/18/02/795751802.db2.gz WSDVPHHEZKZJBZ-JFIYKMOQSA-N 2 2 318.465 2.485 20 30 DEEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184652577 796100020 /nfs/dbraw/zinc/10/00/20/796100020.db2.gz NOSGDEHVNDXIKB-HUUCEWRRSA-N 2 2 324.428 2.274 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905553 796149631 /nfs/dbraw/zinc/14/96/31/796149631.db2.gz WCYJSTUSKYUXRY-SJORKVTESA-N 2 2 318.465 2.314 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185575106 796285055 /nfs/dbraw/zinc/28/50/55/796285055.db2.gz SWHBRYFYMNBDKS-RISCZKNCSA-N 2 2 324.856 2.087 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788823 796315708 /nfs/dbraw/zinc/31/57/08/796315708.db2.gz QDOLEYOUQUDJAV-IRXDYDNUSA-N 2 2 318.465 2.314 20 30 DEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091648 796487521 /nfs/dbraw/zinc/48/75/21/796487521.db2.gz JTFFUGUKXAELCN-UONOGXRCSA-N 2 2 304.438 2.233 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546430 797023639 /nfs/dbraw/zinc/02/36/39/797023639.db2.gz HWZDDKHTIXJADK-GOEBONIOSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546430 797023646 /nfs/dbraw/zinc/02/36/46/797023646.db2.gz HWZDDKHTIXJADK-GOEBONIOSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546430 797023654 /nfs/dbraw/zinc/02/36/54/797023654.db2.gz HWZDDKHTIXJADK-GOEBONIOSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546430 797023661 /nfs/dbraw/zinc/02/36/61/797023661.db2.gz HWZDDKHTIXJADK-GOEBONIOSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577230 797413349 /nfs/dbraw/zinc/41/33/49/797413349.db2.gz DKKAYACJLXIFHF-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577230 797413352 /nfs/dbraw/zinc/41/33/52/797413352.db2.gz DKKAYACJLXIFHF-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092556 797460230 /nfs/dbraw/zinc/46/02/30/797460230.db2.gz IUIXUNWXTXLKCA-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092556 797460236 /nfs/dbraw/zinc/46/02/36/797460236.db2.gz IUIXUNWXTXLKCA-CVEARBPZSA-N 2 2 318.465 2.238 20 30 DEEDLP N#CCc1cc[nH+]c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155381922 797744559 /nfs/dbraw/zinc/74/45/59/797744559.db2.gz FFLDMEVYSNENSO-HNNXBMFYSA-N 2 2 300.406 2.108 20 30 DEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248141 798169939 /nfs/dbraw/zinc/16/99/39/798169939.db2.gz JGYVAKJPTGTBAN-MRXNPFEDSA-N 2 2 306.454 2.456 20 30 DEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248141 798169944 /nfs/dbraw/zinc/16/99/44/798169944.db2.gz JGYVAKJPTGTBAN-MRXNPFEDSA-N 2 2 306.454 2.456 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886367 798253290 /nfs/dbraw/zinc/25/32/90/798253290.db2.gz QWIGLYCNTMCLLK-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886367 798253294 /nfs/dbraw/zinc/25/32/94/798253294.db2.gz QWIGLYCNTMCLLK-UHFFFAOYSA-N 2 2 301.862 2.005 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128537 798346951 /nfs/dbraw/zinc/34/69/51/798346951.db2.gz BEAZIULWBPFGQG-HUUCEWRRSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128537 798346956 /nfs/dbraw/zinc/34/69/56/798346956.db2.gz BEAZIULWBPFGQG-HUUCEWRRSA-N 2 2 315.889 2.392 20 30 DEEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784063 798935922 /nfs/dbraw/zinc/93/59/22/798935922.db2.gz BWMQPGHJYSJPMF-UHFFFAOYSA-N 2 2 316.449 2.365 20 30 DEEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784063 798935925 /nfs/dbraw/zinc/93/59/25/798935925.db2.gz BWMQPGHJYSJPMF-UHFFFAOYSA-N 2 2 316.449 2.365 20 30 DEEDLP CC(NCc1cccc(C[NH3+])c1)=[NH+]c1ncc2nc(C)[nH]c2n1 ZINC001163471574 799354016 /nfs/dbraw/zinc/35/40/16/799354016.db2.gz ADAJGGVFKNSYMB-UHFFFAOYSA-N 2 2 309.377 2.102 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164335036 799575314 /nfs/dbraw/zinc/57/53/14/799575314.db2.gz PXXFKMXZUCVIBL-UHFFFAOYSA-N 2 2 304.438 2.185 20 30 DEEDLP Cc1[nH+]c2c(n1-c1nc(Cl)cc(C)c1C#N)CC[NH2+]CC2 ZINC001165352365 799711359 /nfs/dbraw/zinc/71/13/59/799711359.db2.gz RDRWTEQGOLTGIT-UHFFFAOYSA-N 2 2 301.781 2.097 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165594003 799749184 /nfs/dbraw/zinc/74/91/84/799749184.db2.gz SKQRXQWSDCUSOI-HUUCEWRRSA-N 2 2 316.449 2.356 20 30 DEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165594003 799749188 /nfs/dbraw/zinc/74/91/88/799749188.db2.gz SKQRXQWSDCUSOI-HUUCEWRRSA-N 2 2 316.449 2.356 20 30 DEEDLP C=CC[NH2+]CC[N@@H+]1CCCC2(CCN(C(=O)OCC=C)CC2)C1 ZINC001204843296 800265118 /nfs/dbraw/zinc/26/51/18/800265118.db2.gz MKDWKTHPTARKLT-UHFFFAOYSA-N 2 2 321.465 2.263 20 30 DEEDLP C=CC[NH2+]CC[N@H+]1CCCC2(CCN(C(=O)OCC=C)CC2)C1 ZINC001204843296 800265121 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C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000331486419 529973463 /nfs/dbraw/zinc/97/34/63/529973463.db2.gz UUMCLGOTNLAKBB-IPMKNSEASA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000331486419 529973464 /nfs/dbraw/zinc/97/34/64/529973464.db2.gz UUMCLGOTNLAKBB-IPMKNSEASA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000331486419 529973465 /nfs/dbraw/zinc/97/34/65/529973465.db2.gz UUMCLGOTNLAKBB-IPMKNSEASA-N 2 2 313.445 2.247 20 30 DEEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc(C#N)cc3F)CC2)CC1 ZINC000413101785 530049875 /nfs/dbraw/zinc/04/98/75/530049875.db2.gz IZKIUYCWIMQOJL-UHFFFAOYSA-N 2 2 317.412 2.063 20 30 DEEDLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329818129 539930136 /nfs/dbraw/zinc/93/01/36/539930136.db2.gz GDHGAXIMPGCUMW-AWEZNQCLSA-N 2 2 319.453 2.123 20 30 DEEDLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329818129 539930139 /nfs/dbraw/zinc/93/01/39/539930139.db2.gz GDHGAXIMPGCUMW-AWEZNQCLSA-N 2 2 319.453 2.123 20 30 DEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632456 358507661 /nfs/dbraw/zinc/50/76/61/358507661.db2.gz WZYMLPAJBYIRGF-AWEZNQCLSA-N 2 2 304.463 2.226 20 30 DEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632456 358507664 /nfs/dbraw/zinc/50/76/64/358507664.db2.gz WZYMLPAJBYIRGF-AWEZNQCLSA-N 2 2 304.463 2.226 20 30 DEEDLP N#Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1Cl ZINC000591573365 357736504 /nfs/dbraw/zinc/73/65/04/357736504.db2.gz QBICSLQTHHXACH-CVEARBPZSA-N 2 2 305.809 2.068 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867724 357772945 /nfs/dbraw/zinc/77/29/45/357772945.db2.gz RWPJDGGGALJRIF-HZPDHXFCSA-N 2 2 302.422 2.109 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867724 357772946 /nfs/dbraw/zinc/77/29/46/357772946.db2.gz RWPJDGGGALJRIF-HZPDHXFCSA-N 2 2 302.422 2.109 20 30 DEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598587514 359251237 /nfs/dbraw/zinc/25/12/37/359251237.db2.gz BLIOMACUPRSCHC-CABCVRRESA-N 2 2 304.438 2.383 20 30 DEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598587514 359251241 /nfs/dbraw/zinc/25/12/41/359251241.db2.gz BLIOMACUPRSCHC-CABCVRRESA-N 2 2 304.438 2.383 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668739644 540722227 /nfs/dbraw/zinc/72/22/27/540722227.db2.gz ARAVOIHUGHHCMB-SFHVURJKSA-N 2 2 316.445 2.282 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668739644 540722229 /nfs/dbraw/zinc/72/22/29/540722229.db2.gz ARAVOIHUGHHCMB-SFHVURJKSA-N 2 2 316.445 2.282 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668739643 540722386 /nfs/dbraw/zinc/72/23/86/540722386.db2.gz ARAVOIHUGHHCMB-GOSISDBHSA-N 2 2 316.445 2.282 20 30 DEEDLP C=CCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668739643 540722389 /nfs/dbraw/zinc/72/23/89/540722389.db2.gz ARAVOIHUGHHCMB-GOSISDBHSA-N 2 2 316.445 2.282 20 30 DEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000492812419 249146032 /nfs/dbraw/zinc/14/60/32/249146032.db2.gz MMDXRIRARMMYAI-PTZVLDCSSA-N 2 2 302.422 2.238 20 30 DEEDLP CCC#C[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711823 542194596 /nfs/dbraw/zinc/19/45/96/542194596.db2.gz QZSIVNIUNQJYCA-HKUYNNGSSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711823 542194598 /nfs/dbraw/zinc/19/45/98/542194598.db2.gz QZSIVNIUNQJYCA-HKUYNNGSSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711823 542194599 /nfs/dbraw/zinc/19/45/99/542194599.db2.gz QZSIVNIUNQJYCA-HKUYNNGSSA-N 2 2 300.446 2.357 20 30 DEEDLP CCC#C[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711823 542194601 /nfs/dbraw/zinc/19/46/01/542194601.db2.gz QZSIVNIUNQJYCA-HKUYNNGSSA-N 2 2 300.446 2.357 20 30 DEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000120324229 195144209 /nfs/dbraw/zinc/14/42/09/195144209.db2.gz JEARALUEQVVVGU-QGZVFWFLSA-N 2 2 316.445 2.147 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000373106532 148210999 /nfs/dbraw/zinc/21/09/99/148210999.db2.gz JZTJQUXEOCFEDJ-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000373106532 148211002 /nfs/dbraw/zinc/21/10/02/148211002.db2.gz JZTJQUXEOCFEDJ-HNNXBMFYSA-N 2 2 323.400 2.110 20 30 DEEDLP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129995707 401814215 /nfs/dbraw/zinc/81/42/15/401814215.db2.gz VEJYQFDGABPRBZ-LJQANCHMSA-N 2 2 317.477 2.347 20 30 DEEDLP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129995707 401814217 /nfs/dbraw/zinc/81/42/17/401814217.db2.gz VEJYQFDGABPRBZ-LJQANCHMSA-N 2 2 317.477 2.347 20 30 DEEDLP COC[C@@H](C)O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000178309132 402483297 /nfs/dbraw/zinc/48/32/97/402483297.db2.gz OJOJLUHUOPHJFO-CQSZACIVSA-N 2 2 305.422 2.344 20 30 DEEDLP CNC(NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)=[NH+]C ZINC000183887180 402803497 /nfs/dbraw/zinc/80/34/97/402803497.db2.gz OTJQJURJTPUCFL-GFCCVEGCSA-N 2 2 302.344 2.103 20 30 DEEDLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000279703683 402961132 /nfs/dbraw/zinc/96/11/32/402961132.db2.gz RNEWZMKYINCTCC-KDURUIRLSA-N 2 2 320.440 2.461 20 30 DEEDLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000279703683 402961133 /nfs/dbraw/zinc/96/11/33/402961133.db2.gz RNEWZMKYINCTCC-KDURUIRLSA-N 2 2 320.440 2.461 20 30 DEEDLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000279703683 402961135 /nfs/dbraw/zinc/96/11/35/402961135.db2.gz RNEWZMKYINCTCC-KDURUIRLSA-N 2 2 320.440 2.461 20 30 DEEDLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000279703683 402961136 /nfs/dbraw/zinc/96/11/36/402961136.db2.gz RNEWZMKYINCTCC-KDURUIRLSA-N 2 2 320.440 2.461 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000299159837 403537567 /nfs/dbraw/zinc/53/75/67/403537567.db2.gz OEYGLZWLCGLKMZ-UHFFFAOYSA-N 2 2 322.412 2.371 20 30 DEEDLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](c2ccccc2)C1 ZINC000329062576 404217156 /nfs/dbraw/zinc/21/71/56/404217156.db2.gz ZOUIQEXQQANXOI-IKGGRYGDSA-N 2 2 324.428 2.500 20 30 DEEDLP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290592603 404233645 /nfs/dbraw/zinc/23/36/45/404233645.db2.gz GPHTXBWUCNEETM-UHFFFAOYSA-N 2 2 314.393 2.034 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000352388171 404335476 /nfs/dbraw/zinc/33/54/76/404335476.db2.gz LBOZLHCWJCLXQV-UHFFFAOYSA-N 2 2 315.417 2.148 20 30 DEEDLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329381760 404321179 /nfs/dbraw/zinc/32/11/79/404321179.db2.gz NWMATFUNBLUNBL-UHFFFAOYSA-N 2 2 319.453 2.173 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353449004 404833941 /nfs/dbraw/zinc/83/39/41/404833941.db2.gz LYFKOGGDKBDJCO-YJBOKZPZSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C[C@@](C)(CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353449004 404833944 /nfs/dbraw/zinc/83/39/44/404833944.db2.gz LYFKOGGDKBDJCO-YJBOKZPZSA-N 2 2 307.482 2.216 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000353497001 404848012 /nfs/dbraw/zinc/84/80/12/404848012.db2.gz NIUSHCIDJAGXDP-KRWDZBQOSA-N 2 2 310.445 2.353 20 30 DEEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000353497001 404848013 /nfs/dbraw/zinc/84/80/13/404848013.db2.gz NIUSHCIDJAGXDP-KRWDZBQOSA-N 2 2 310.445 2.353 20 30 DEEDLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425240208 405262301 /nfs/dbraw/zinc/26/23/01/405262301.db2.gz YHCVJRQFCVUATF-INIZCTEOSA-N 2 2 302.422 2.199 20 30 DEEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367103 405779832 /nfs/dbraw/zinc/77/98/32/405779832.db2.gz CXQWLDDJYHVGPU-HNAYVOBHSA-N 3 2 312.461 2.253 20 30 DEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000564844913 406066307 /nfs/dbraw/zinc/06/63/07/406066307.db2.gz NQTLMTVEZYRZGY-GOSISDBHSA-N 2 2 312.417 2.052 20 30 DEEDLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000517171844 406123274 /nfs/dbraw/zinc/12/32/74/406123274.db2.gz QFXIGTVARSCWQT-UHFFFAOYSA-N 2 2 301.434 2.078 20 30 DEEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536620024 406270963 /nfs/dbraw/zinc/27/09/63/406270963.db2.gz PQXACFGMCKRRRB-UHFFFAOYSA-N 2 2 302.422 2.282 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)OCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000490893589 406503592 /nfs/dbraw/zinc/50/35/92/406503592.db2.gz VRBQLDSAFOROLO-UHFFFAOYSA-N 2 2 316.401 2.095 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925802 407075514 /nfs/dbraw/zinc/07/55/14/407075514.db2.gz YHGDJVAQFJPSOI-AWEZNQCLSA-N 2 2 321.490 2.464 20 30 DEEDLP Cc1cc(C)c(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331223721 226071787 /nfs/dbraw/zinc/07/17/87/226071787.db2.gz ALVDIRRPYSPTPX-CYBMUJFWSA-N 2 2 306.410 2.053 20 30 DEEDLP Cc1cc(C)c(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331295589 226076502 /nfs/dbraw/zinc/07/65/02/226076502.db2.gz COLOEHLLDJCYPO-UKRRQHHQSA-N 2 2 320.437 2.442 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655427 425194961 /nfs/dbraw/zinc/19/49/61/425194961.db2.gz MIQMHQHJTCYEHZ-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655427 425194964 /nfs/dbraw/zinc/19/49/64/425194964.db2.gz MIQMHQHJTCYEHZ-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655427 425194967 /nfs/dbraw/zinc/19/49/67/425194967.db2.gz MIQMHQHJTCYEHZ-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655427 425194969 /nfs/dbraw/zinc/19/49/69/425194969.db2.gz MIQMHQHJTCYEHZ-SJLPKXTDSA-N 2 2 307.482 2.217 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657352198 425315179 /nfs/dbraw/zinc/31/51/79/425315179.db2.gz DYDIMXKNDGTNQH-UHFFFAOYSA-N 2 2 302.344 2.179 20 30 DEEDLP C=CC[C@]1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCC[NH2+]1 ZINC000662673253 425709408 /nfs/dbraw/zinc/70/94/08/425709408.db2.gz JTZLDSVDIKFXHW-MRXNPFEDSA-N 2 2 318.808 2.302 20 30 DEEDLP COC[C@@H](C)O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000178309319 277563274 /nfs/dbraw/zinc/56/32/74/277563274.db2.gz WICJWURRLWAKGX-CQSZACIVSA-N 2 2 305.422 2.344 20 30 DEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000328778694 290004240 /nfs/dbraw/zinc/00/42/40/290004240.db2.gz LUERZRUXYZONJW-SJORKVTESA-N 2 2 304.438 2.053 20 30 DEEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000328778694 290004243 /nfs/dbraw/zinc/00/42/43/290004243.db2.gz LUERZRUXYZONJW-SJORKVTESA-N 2 2 304.438 2.053 20 30 DEEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000328778694 290004244 /nfs/dbraw/zinc/00/42/44/290004244.db2.gz LUERZRUXYZONJW-SJORKVTESA-N 2 2 304.438 2.053 20 30 DEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000328778694 290004246 /nfs/dbraw/zinc/00/42/46/290004246.db2.gz LUERZRUXYZONJW-SJORKVTESA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000177905778 340445316 /nfs/dbraw/zinc/44/53/16/340445316.db2.gz QVVXJFZONYUASB-UHFFFAOYSA-N 2 2 305.388 2.253 20 30 DEEDLP CC#CC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001329850296 1149003295 /nfs/dbraw/zinc/00/32/95/1149003295.db2.gz ZUTAWISMZMLNGP-INIZCTEOSA-N 2 2 316.449 2.266 20 30 DEEDLP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329885980 1149009588 /nfs/dbraw/zinc/00/95/88/1149009588.db2.gz AIDDFJYJPKQIRM-OAHLLOKOSA-N 2 2 312.417 2.464 20 30 DEEDLP C[NH+]=C(NC[C@H](C)SC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958203 526374903 /nfs/dbraw/zinc/37/49/03/526374903.db2.gz JJHORGOIQJJMAT-IHRRRGAJSA-N 2 2 309.483 2.093 20 30 DEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1cccs1 ZINC000262522759 526387736 /nfs/dbraw/zinc/38/77/36/526387736.db2.gz FMZIVBGFEKKWQF-UHFFFAOYSA-N 2 2 303.435 2.146 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341434591 527040704 /nfs/dbraw/zinc/04/07/04/527040704.db2.gz KEEIQSHWZKRDJE-JKSUJKDBSA-N 2 2 322.497 2.151 20 30 DEEDLP C=CC[C@@H](CC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341434591 527040710 /nfs/dbraw/zinc/04/07/10/527040710.db2.gz KEEIQSHWZKRDJE-JKSUJKDBSA-N 2 2 322.497 2.151 20 30 DEEDLP CC[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000263236863 528810200 /nfs/dbraw/zinc/81/02/00/528810200.db2.gz JYGRSTLJANVLEV-GFCCVEGCSA-N 2 2 306.479 2.212 20 30 DEEDLP CC[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000263236863 528810209 /nfs/dbraw/zinc/81/02/09/528810209.db2.gz JYGRSTLJANVLEV-GFCCVEGCSA-N 2 2 306.479 2.212 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487346 625294897 /nfs/dbraw/zinc/29/48/97/625294897.db2.gz GANXTUDNNSJATP-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487346 625294901 /nfs/dbraw/zinc/29/49/01/625294901.db2.gz GANXTUDNNSJATP-HNNXBMFYSA-N 2 2 312.417 2.352 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273591 625320809 /nfs/dbraw/zinc/32/08/09/625320809.db2.gz QWNTZMYZINKNQJ-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273591 625320812 /nfs/dbraw/zinc/32/08/12/625320812.db2.gz QWNTZMYZINKNQJ-DLBZAZTESA-N 2 2 316.449 2.374 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303544 625329655 /nfs/dbraw/zinc/32/96/55/625329655.db2.gz IHXHNLIDAWTPDI-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303544 625329658 /nfs/dbraw/zinc/32/96/58/625329658.db2.gz IHXHNLIDAWTPDI-IRXDYDNUSA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969659795 622871695 /nfs/dbraw/zinc/87/16/95/622871695.db2.gz KLCIWJPUQNSXHO-ZFWWWQNUSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969659795 622871700 /nfs/dbraw/zinc/87/17/00/622871700.db2.gz KLCIWJPUQNSXHO-ZFWWWQNUSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969673653 622878212 /nfs/dbraw/zinc/87/82/12/622878212.db2.gz KHWVFLIPIZZDGM-AWEZNQCLSA-N 2 2 312.417 2.269 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1csc(C#N)c1 ZINC000892233592 624859287 /nfs/dbraw/zinc/85/92/87/624859287.db2.gz GIPPRZPCWNUKRS-KBMXLJTQSA-N 2 2 305.447 2.303 20 30 DEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1csc(C#N)c1 ZINC000892233592 624859288 /nfs/dbraw/zinc/85/92/88/624859288.db2.gz GIPPRZPCWNUKRS-KBMXLJTQSA-N 2 2 305.447 2.303 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000328164172 625738446 /nfs/dbraw/zinc/73/84/46/625738446.db2.gz ISCZOINXFVWSCZ-UHFFFAOYSA-N 2 2 308.809 2.156 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000328164172 625738449 /nfs/dbraw/zinc/73/84/49/625738449.db2.gz ISCZOINXFVWSCZ-UHFFFAOYSA-N 2 2 308.809 2.156 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024488100 625811608 /nfs/dbraw/zinc/81/16/08/625811608.db2.gz VJRFMOQBTUEPIG-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024488100 625811611 /nfs/dbraw/zinc/81/16/11/625811611.db2.gz VJRFMOQBTUEPIG-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024623721 625940517 /nfs/dbraw/zinc/94/05/17/625940517.db2.gz HDMUUWYURWCCNR-HNNXBMFYSA-N 2 2 305.422 2.112 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024623721 625940521 /nfs/dbraw/zinc/94/05/21/625940521.db2.gz HDMUUWYURWCCNR-HNNXBMFYSA-N 2 2 305.422 2.112 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999110228 634486023 /nfs/dbraw/zinc/48/60/23/634486023.db2.gz GOVLEPWBHKZTEF-UHFFFAOYSA-N 2 2 318.808 2.279 20 30 DEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979993679 634817589 /nfs/dbraw/zinc/81/75/89/634817589.db2.gz WFLMCDBKTABNPO-BPUTZDHNSA-N 2 2 322.412 2.026 20 30 DEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979993679 634817590 /nfs/dbraw/zinc/81/75/90/634817590.db2.gz WFLMCDBKTABNPO-BPUTZDHNSA-N 2 2 322.412 2.026 20 30 DEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974583747 633164982 /nfs/dbraw/zinc/16/49/82/633164982.db2.gz OFYIUYAZVBQSCU-MRXNPFEDSA-N 2 2 324.428 2.106 20 30 DEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974583747 633164984 /nfs/dbraw/zinc/16/49/84/633164984.db2.gz OFYIUYAZVBQSCU-MRXNPFEDSA-N 2 2 324.428 2.106 20 30 DEEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974739333 633282394 /nfs/dbraw/zinc/28/23/94/633282394.db2.gz YKHAYVQXZJDWBV-INIZCTEOSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974739333 633282399 /nfs/dbraw/zinc/28/23/99/633282399.db2.gz YKHAYVQXZJDWBV-INIZCTEOSA-N 2 2 310.401 2.026 20 30 DEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981167554 635347290 /nfs/dbraw/zinc/34/72/90/635347290.db2.gz QSBFHKDXIZMGKU-GJZGRUSLSA-N 2 2 304.438 2.130 20 30 DEEDLP C#CC[NH+]1CCC(Nc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000895812966 638211267 /nfs/dbraw/zinc/21/12/67/638211267.db2.gz YVSHPJYRQACKSN-UHFFFAOYSA-N 2 2 309.417 2.205 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750391937 638739113 /nfs/dbraw/zinc/73/91/13/638739113.db2.gz NMTVVCGVJPEMGX-UHFFFAOYSA-N 2 2 317.437 2.228 20 30 DEEDLP CC(C)N(C)c1ccc(C=[NH+]NCC[NH+]2CCCCC2)cn1 ZINC000790158611 643821698 /nfs/dbraw/zinc/82/16/98/643821698.db2.gz ZWBOWDDZAXXHEA-UHFFFAOYSA-N 2 2 303.454 2.336 20 30 DEEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000809577055 646239775 /nfs/dbraw/zinc/23/97/75/646239775.db2.gz KJJNGRLTNWDZKW-RYQLBKOJSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000809577055 646239784 /nfs/dbraw/zinc/23/97/84/646239784.db2.gz KJJNGRLTNWDZKW-RYQLBKOJSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577055 646239790 /nfs/dbraw/zinc/23/97/90/646239790.db2.gz KJJNGRLTNWDZKW-RYQLBKOJSA-N 2 2 301.434 2.246 20 30 DEEDLP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC#N)CC[NH+]1Cc1ccccc1 ZINC000809577055 646239796 /nfs/dbraw/zinc/23/97/96/646239796.db2.gz KJJNGRLTNWDZKW-RYQLBKOJSA-N 2 2 301.434 2.246 20 30 DEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314768 646518591 /nfs/dbraw/zinc/51/85/91/646518591.db2.gz HVWPAJOZJVNOTF-BBRMVZONSA-N 2 2 312.417 2.411 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314768 646518593 /nfs/dbraw/zinc/51/85/93/646518593.db2.gz HVWPAJOZJVNOTF-BBRMVZONSA-N 2 2 312.417 2.411 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991863606 646673596 /nfs/dbraw/zinc/67/35/96/646673596.db2.gz RWBIWSBIFUEEED-HOCLYGCPSA-N 2 2 322.840 2.057 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991863606 646673597 /nfs/dbraw/zinc/67/35/97/646673597.db2.gz RWBIWSBIFUEEED-HOCLYGCPSA-N 2 2 322.840 2.057 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993494723 647680168 /nfs/dbraw/zinc/68/01/68/647680168.db2.gz QTRVOVHWYOQJCG-JKSUJKDBSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993494723 647680170 /nfs/dbraw/zinc/68/01/70/647680170.db2.gz QTRVOVHWYOQJCG-JKSUJKDBSA-N 2 2 318.465 2.472 20 30 DEEDLP 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C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838460 648954068 /nfs/dbraw/zinc/95/40/68/648954068.db2.gz GMBGHBCKGYFDKJ-QGZVFWFLSA-N 2 2 324.428 2.417 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942174531 649175097 /nfs/dbraw/zinc/17/50/97/649175097.db2.gz XLYKZXCQUKTZQR-GDBMZVCRSA-N 2 2 317.433 2.035 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942174531 649175098 /nfs/dbraw/zinc/17/50/98/649175098.db2.gz XLYKZXCQUKTZQR-GDBMZVCRSA-N 2 2 317.433 2.035 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942184405 649177456 /nfs/dbraw/zinc/17/74/56/649177456.db2.gz SHKYCAQJLBGMKF-DZGCQCFKSA-N 2 2 310.401 2.026 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942184405 649177459 /nfs/dbraw/zinc/17/74/59/649177459.db2.gz SHKYCAQJLBGMKF-DZGCQCFKSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944446755 649527210 /nfs/dbraw/zinc/52/72/10/649527210.db2.gz VBYIUVUHWOARID-ZFWWWQNUSA-N 2 2 304.438 2.053 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944446755 649527213 /nfs/dbraw/zinc/52/72/13/649527213.db2.gz VBYIUVUHWOARID-ZFWWWQNUSA-N 2 2 304.438 2.053 20 30 DEEDLP COc1ccc(O)c(/C=N/[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000849171108 651616068 /nfs/dbraw/zinc/61/60/68/651616068.db2.gz YEBJJCHLXVTHKL-QCUKBLKESA-N 2 2 307.438 2.092 20 30 DEEDLP COc1ccc(O)c(/C=N/[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000849171108 651616072 /nfs/dbraw/zinc/61/60/72/651616072.db2.gz YEBJJCHLXVTHKL-QCUKBLKESA-N 2 2 307.438 2.092 20 30 DEEDLP COc1cccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+](C)C)c1 ZINC000104155455 684058796 /nfs/dbraw/zinc/05/87/96/684058796.db2.gz BTFLPKRZWJHVBQ-PBHICJAKSA-N 2 2 318.465 2.345 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054204668 693881575 /nfs/dbraw/zinc/88/15/75/693881575.db2.gz ACXWHRUTAVMZRO-INIZCTEOSA-N 2 2 322.840 2.019 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054204668 693881578 /nfs/dbraw/zinc/88/15/78/693881578.db2.gz ACXWHRUTAVMZRO-INIZCTEOSA-N 2 2 322.840 2.019 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205447 693882535 /nfs/dbraw/zinc/88/25/35/693882535.db2.gz RPXZMAGDDPPRNI-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205447 693882538 /nfs/dbraw/zinc/88/25/38/693882538.db2.gz RPXZMAGDDPPRNI-GOSISDBHSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000873229311 689189467 /nfs/dbraw/zinc/18/94/67/689189467.db2.gz ZWHSBNNFWBKPLK-MAUKXSAKSA-N 2 2 302.418 2.301 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000873229311 689189471 /nfs/dbraw/zinc/18/94/71/689189471.db2.gz ZWHSBNNFWBKPLK-MAUKXSAKSA-N 2 2 302.418 2.301 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033184418 689415501 /nfs/dbraw/zinc/41/55/01/689415501.db2.gz AFBWFFRCJSRUDT-OAHLLOKOSA-N 2 2 304.438 2.035 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033184418 689415502 /nfs/dbraw/zinc/41/55/02/689415502.db2.gz AFBWFFRCJSRUDT-OAHLLOKOSA-N 2 2 304.438 2.035 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554170 689540319 /nfs/dbraw/zinc/54/03/19/689540319.db2.gz OZOWQQNUBNONDB-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554170 689540322 /nfs/dbraw/zinc/54/03/22/689540322.db2.gz OZOWQQNUBNONDB-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553887 689540642 /nfs/dbraw/zinc/54/06/42/689540642.db2.gz LKXJCORYWTWTCQ-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553887 689540644 /nfs/dbraw/zinc/54/06/44/689540644.db2.gz LKXJCORYWTWTCQ-GOSISDBHSA-N 2 2 322.412 2.042 20 30 DEEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207373 689763031 /nfs/dbraw/zinc/76/30/31/689763031.db2.gz QZUYTGXHQBKWCL-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207373 689763034 /nfs/dbraw/zinc/76/30/34/689763034.db2.gz QZUYTGXHQBKWCL-MRXNPFEDSA-N 2 2 312.417 2.413 20 30 DEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035727068 690162392 /nfs/dbraw/zinc/16/23/92/690162392.db2.gz APUGNUJHABTLKD-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035727068 690162394 /nfs/dbraw/zinc/16/23/94/690162394.db2.gz APUGNUJHABTLKD-HUUCEWRRSA-N 2 2 314.433 2.014 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702661 690440334 /nfs/dbraw/zinc/44/03/34/690440334.db2.gz PMFKISRJGPQCDS-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702661 690440336 /nfs/dbraw/zinc/44/03/36/690440336.db2.gz PMFKISRJGPQCDS-HZPDHXFCSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036716448 690443288 /nfs/dbraw/zinc/44/32/88/690443288.db2.gz GEDYBHNGQMHDSL-IAGOWNOFSA-N 2 2 324.428 2.365 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036716448 690443292 /nfs/dbraw/zinc/44/32/92/690443292.db2.gz GEDYBHNGQMHDSL-IAGOWNOFSA-N 2 2 324.428 2.365 20 30 DEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC ZINC001037898264 690636504 /nfs/dbraw/zinc/63/65/04/690636504.db2.gz NVMNVVQZJZHAFF-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP N#CC1(C[C@@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880569567 690929666 /nfs/dbraw/zinc/92/96/66/690929666.db2.gz HPEWGQJIGMIWFN-IAGOWNOFSA-N 2 2 310.401 2.269 20 30 DEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039313355 691078992 /nfs/dbraw/zinc/07/89/92/691078992.db2.gz YKPWIPGIYVWSJC-MQVJKMGUSA-N 2 2 316.449 2.040 20 30 DEEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039313517 691079068 /nfs/dbraw/zinc/07/90/68/691079068.db2.gz YQYCCJUPHMYWCA-GOOCMWNKSA-N 2 2 322.840 2.137 20 30 DEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000883131349 691436484 /nfs/dbraw/zinc/43/64/84/691436484.db2.gz XKAUQPVBGVIOPA-UHFFFAOYSA-N 2 2 324.428 2.197 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000883131349 691436486 /nfs/dbraw/zinc/43/64/86/691436486.db2.gz XKAUQPVBGVIOPA-UHFFFAOYSA-N 2 2 324.428 2.197 20 30 DEEDLP CC#CC[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000883156126 691443113 /nfs/dbraw/zinc/44/31/13/691443113.db2.gz FEFFCHZFUABDFG-KRWDZBQOSA-N 2 2 315.461 2.085 20 30 DEEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042311852 691565664 /nfs/dbraw/zinc/56/56/64/691565664.db2.gz BDFDSESVEWVKHY-LSDHHAIUSA-N 2 2 316.449 2.186 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042311852 691565666 /nfs/dbraw/zinc/56/56/66/691565666.db2.gz BDFDSESVEWVKHY-LSDHHAIUSA-N 2 2 316.449 2.186 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935050 692056289 /nfs/dbraw/zinc/05/62/89/692056289.db2.gz IMVANHFEYUCRIP-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935050 692056293 /nfs/dbraw/zinc/05/62/93/692056293.db2.gz IMVANHFEYUCRIP-SFHVURJKSA-N 2 2 316.449 2.233 20 30 DEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958863 692061995 /nfs/dbraw/zinc/06/19/95/692061995.db2.gz YFXANBWQMWRUSS-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958863 692061998 /nfs/dbraw/zinc/06/19/98/692061998.db2.gz YFXANBWQMWRUSS-SFHVURJKSA-N 2 2 316.449 2.164 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330978 692154829 /nfs/dbraw/zinc/15/48/29/692154829.db2.gz YTGFSLROPNFLNK-LZWOXQAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330978 692154830 /nfs/dbraw/zinc/15/48/30/692154830.db2.gz YTGFSLROPNFLNK-LZWOXQAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330978 692154835 /nfs/dbraw/zinc/15/48/35/692154835.db2.gz YTGFSLROPNFLNK-LZWOXQAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330978 692154839 /nfs/dbraw/zinc/15/48/39/692154839.db2.gz YTGFSLROPNFLNK-LZWOXQAQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049528864 692913338 /nfs/dbraw/zinc/91/33/38/692913338.db2.gz BMQOQLJXLDZIHP-TXCZRRACSA-N 2 2 314.433 2.155 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049528864 692913340 /nfs/dbraw/zinc/91/33/40/692913340.db2.gz BMQOQLJXLDZIHP-TXCZRRACSA-N 2 2 314.433 2.155 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049528864 692913341 /nfs/dbraw/zinc/91/33/41/692913341.db2.gz BMQOQLJXLDZIHP-TXCZRRACSA-N 2 2 314.433 2.155 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049528864 692913343 /nfs/dbraw/zinc/91/33/43/692913343.db2.gz BMQOQLJXLDZIHP-TXCZRRACSA-N 2 2 314.433 2.155 20 30 DEEDLP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684923 693231668 /nfs/dbraw/zinc/23/16/68/693231668.db2.gz URCYDGTWWCTOSH-INIZCTEOSA-N 2 2 316.449 2.335 20 30 DEEDLP C=C(C[NH+](C)C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001347896805 1151104813 /nfs/dbraw/zinc/10/48/13/1151104813.db2.gz CVOYJUHOOBKJDT-UHFFFAOYSA-N 2 2 318.808 2.260 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001381762974 1153212588 /nfs/dbraw/zinc/21/25/88/1153212588.db2.gz HWLYAAGMHGHINF-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001381762974 1153212593 /nfs/dbraw/zinc/21/25/93/1153212593.db2.gz HWLYAAGMHGHINF-LSDHHAIUSA-N 2 2 315.889 2.440 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001370902958 1155624665 /nfs/dbraw/zinc/62/46/65/1155624665.db2.gz GTPZDONACTZOBE-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001370902958 1155624670 /nfs/dbraw/zinc/62/46/70/1155624670.db2.gz GTPZDONACTZOBE-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001370902958 1155624671 /nfs/dbraw/zinc/62/46/71/1155624671.db2.gz GTPZDONACTZOBE-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001370902958 1155624672 /nfs/dbraw/zinc/62/46/72/1155624672.db2.gz GTPZDONACTZOBE-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001370857620 1155595158 /nfs/dbraw/zinc/59/51/58/1155595158.db2.gz XMDQZSJAIQTUJV-CYBMUJFWSA-N 2 2 324.856 2.268 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001370971346 1155659348 /nfs/dbraw/zinc/65/93/48/1155659348.db2.gz XLPVUPOPKIZIKH-ZDUSSCGKSA-N 2 2 324.856 2.411 20 30 DEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001403108152 1162722899 /nfs/dbraw/zinc/72/28/99/1162722899.db2.gz XCDQJXITLKPWPV-UHFFFAOYSA-N 2 2 312.845 2.087 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001372662248 1156650595 /nfs/dbraw/zinc/65/05/95/1156650595.db2.gz IGMOCYUNEMUKLJ-HNNXBMFYSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001372662248 1156650602 /nfs/dbraw/zinc/65/06/02/1156650602.db2.gz IGMOCYUNEMUKLJ-HNNXBMFYSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001403279407 1162836255 /nfs/dbraw/zinc/83/62/55/1162836255.db2.gz CMYBIRUXSYQQSA-OLZOCXBDSA-N 2 2 310.829 2.112 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001403279407 1162836256 /nfs/dbraw/zinc/83/62/56/1162836256.db2.gz CMYBIRUXSYQQSA-OLZOCXBDSA-N 2 2 310.829 2.112 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001377306451 1160179495 /nfs/dbraw/zinc/17/94/95/1160179495.db2.gz JYLSOUYAIUSARW-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001377306451 1160179513 /nfs/dbraw/zinc/17/95/13/1160179513.db2.gz JYLSOUYAIUSARW-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001377306451 1160179471 /nfs/dbraw/zinc/17/94/71/1160179471.db2.gz JYLSOUYAIUSARW-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001377306451 1160179481 /nfs/dbraw/zinc/17/94/81/1160179481.db2.gz JYLSOUYAIUSARW-AWEZNQCLSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377398290 1160328145 /nfs/dbraw/zinc/32/81/45/1160328145.db2.gz MYZIISZXDSOXDQ-AWEZNQCLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377398290 1160328153 /nfs/dbraw/zinc/32/81/53/1160328153.db2.gz MYZIISZXDSOXDQ-AWEZNQCLSA-N 2 2 313.873 2.194 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001401791292 1162132779 /nfs/dbraw/zinc/13/27/79/1162132779.db2.gz FFILGOWRBZYTDF-LSDHHAIUSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001401791292 1162132781 /nfs/dbraw/zinc/13/27/81/1162132781.db2.gz FFILGOWRBZYTDF-LSDHHAIUSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001401791292 1162132782 /nfs/dbraw/zinc/13/27/82/1162132782.db2.gz FFILGOWRBZYTDF-LSDHHAIUSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001401791292 1162132783 /nfs/dbraw/zinc/13/27/83/1162132783.db2.gz FFILGOWRBZYTDF-LSDHHAIUSA-N 2 2 315.889 2.438 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001401852860 1162154275 /nfs/dbraw/zinc/15/42/75/1162154275.db2.gz FCYGQCSMOCAKFX-TZMCWYRMSA-N 2 2 310.829 2.071 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001406162757 1164486359 /nfs/dbraw/zinc/48/63/59/1164486359.db2.gz AOEDTMMPTBPNBF-HNNXBMFYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001406162757 1164486362 /nfs/dbraw/zinc/48/63/62/1164486362.db2.gz AOEDTMMPTBPNBF-HNNXBMFYSA-N 2 2 315.889 2.250 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437309053 1179708747 /nfs/dbraw/zinc/70/87/47/1179708747.db2.gz HWPBDYCLDYGMJU-ZIAGYGMSSA-N 2 2 310.829 2.025 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001437898318 1180056996 /nfs/dbraw/zinc/05/69/96/1180056996.db2.gz BIFVVTWEWWOJLJ-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001437898318 1180057004 /nfs/dbraw/zinc/05/70/04/1180057004.db2.gz BIFVVTWEWWOJLJ-OAHLLOKOSA-N 2 2 324.856 2.257 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001439349468 1181036460 /nfs/dbraw/zinc/03/64/60/1181036460.db2.gz KJFBAJGISLLGAG-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001439349468 1181036464 /nfs/dbraw/zinc/03/64/64/1181036464.db2.gz KJFBAJGISLLGAG-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001439349468 1181036470 /nfs/dbraw/zinc/03/64/70/1181036470.db2.gz KJFBAJGISLLGAG-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001439349468 1181036476 /nfs/dbraw/zinc/03/64/76/1181036476.db2.gz KJFBAJGISLLGAG-HUUCEWRRSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001441679461 1182126284 /nfs/dbraw/zinc/12/62/84/1182126284.db2.gz NMYIXDXWZWSHAT-LSDHHAIUSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001441679461 1182126289 /nfs/dbraw/zinc/12/62/89/1182126289.db2.gz NMYIXDXWZWSHAT-LSDHHAIUSA-N 2 2 324.856 2.242 20 30 DEEDLP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001332959505 1149935421 /nfs/dbraw/zinc/93/54/21/1149935421.db2.gz AFWLVBYNLOQKSQ-CQSZACIVSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498739 782748618 /nfs/dbraw/zinc/74/86/18/782748618.db2.gz NKPMUJRMTKZLMN-IXDOHACOSA-N 2 2 318.465 2.312 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563298 780481462 /nfs/dbraw/zinc/48/14/62/780481462.db2.gz LGCPDHHRGKJPEX-QLFBSQMISA-N 2 2 313.873 2.191 20 30 DEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563298 780481467 /nfs/dbraw/zinc/48/14/67/780481467.db2.gz LGCPDHHRGKJPEX-QLFBSQMISA-N 2 2 313.873 2.191 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563298 780481470 /nfs/dbraw/zinc/48/14/70/780481470.db2.gz LGCPDHHRGKJPEX-QLFBSQMISA-N 2 2 313.873 2.191 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563298 780481475 /nfs/dbraw/zinc/48/14/75/780481475.db2.gz LGCPDHHRGKJPEX-QLFBSQMISA-N 2 2 313.873 2.191 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966488469 783672582 /nfs/dbraw/zinc/67/25/82/783672582.db2.gz HQQLGGKZVJAEGZ-UKRRQHHQSA-N 2 2 321.490 2.436 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966488469 783672584 /nfs/dbraw/zinc/67/25/84/783672584.db2.gz HQQLGGKZVJAEGZ-UKRRQHHQSA-N 2 2 321.490 2.436 20 30 DEEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497976 784426772 /nfs/dbraw/zinc/42/67/72/784426772.db2.gz UNFVRQRDLFPLNK-MAUKXSAKSA-N 2 2 324.428 2.499 20 30 DEEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497976 784426778 /nfs/dbraw/zinc/42/67/78/784426778.db2.gz UNFVRQRDLFPLNK-MAUKXSAKSA-N 2 2 324.428 2.499 20 30 DEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007443694 784921810 /nfs/dbraw/zinc/92/18/10/784921810.db2.gz NNJHFQULQJVNJH-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001007443694 784921814 /nfs/dbraw/zinc/92/18/14/784921814.db2.gz NNJHFQULQJVNJH-HNNXBMFYSA-N 2 2 319.474 2.027 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735331 785515167 /nfs/dbraw/zinc/51/51/67/785515167.db2.gz BHNCADONNBMPLU-ULQDDVLXSA-N 2 2 316.449 2.209 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001113538551 786668235 /nfs/dbraw/zinc/66/82/35/786668235.db2.gz UNXZYHJRJDIABB-CQSZACIVSA-N 2 2 304.438 2.186 20 30 DEEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001114282818 787196585 /nfs/dbraw/zinc/19/65/85/787196585.db2.gz HCULARQBYFZSNB-VQFNDLOPSA-N 2 2 324.428 2.269 20 30 DEEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001114282818 787196591 /nfs/dbraw/zinc/19/65/91/787196591.db2.gz HCULARQBYFZSNB-VQFNDLOPSA-N 2 2 324.428 2.269 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090862 787923023 /nfs/dbraw/zinc/92/30/23/787923023.db2.gz NCSMAHHNPHWVMQ-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090862 787923030 /nfs/dbraw/zinc/92/30/30/787923030.db2.gz NCSMAHHNPHWVMQ-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090862 787923035 /nfs/dbraw/zinc/92/30/35/787923035.db2.gz NCSMAHHNPHWVMQ-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090862 787923042 /nfs/dbraw/zinc/92/30/42/787923042.db2.gz NCSMAHHNPHWVMQ-GDBMZVCRSA-N 2 2 304.438 2.278 20 30 DEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133288618 788349275 /nfs/dbraw/zinc/34/92/75/788349275.db2.gz JTCOIRLFSJEYTE-CVEARBPZSA-N 2 2 318.465 2.003 20 30 DEEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148484898 791754556 /nfs/dbraw/zinc/75/45/56/791754556.db2.gz MSIBKMKHNLWRDM-UHFFFAOYSA-N 2 2 318.465 2.457 20 30 DEEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148484898 791754561 /nfs/dbraw/zinc/75/45/61/791754561.db2.gz MSIBKMKHNLWRDM-UHFFFAOYSA-N 2 2 318.465 2.457 20 30 DEEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428085 792643070 /nfs/dbraw/zinc/64/30/70/792643070.db2.gz XOHZBDHOECTOKE-GPANFISMSA-N 2 2 304.438 2.141 20 30 DEEDLP CC1(C)C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001171978603 793287258 /nfs/dbraw/zinc/28/72/58/793287258.db2.gz AADGYQUXSGEUOP-MSOLQXFVSA-N 2 2 312.461 2.227 20 30 DEEDLP CC1(C)C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171978603 793287259 /nfs/dbraw/zinc/28/72/59/793287259.db2.gz AADGYQUXSGEUOP-MSOLQXFVSA-N 2 2 312.461 2.227 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479428 794109577 /nfs/dbraw/zinc/10/95/77/794109577.db2.gz NCMOPVPATVROKA-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479428 794109583 /nfs/dbraw/zinc/10/95/83/794109583.db2.gz NCMOPVPATVROKA-IXDOHACOSA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340714 794740899 /nfs/dbraw/zinc/74/08/99/794740899.db2.gz XVKMNFLLLBQZDI-CBZIJGRNSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340714 794740905 /nfs/dbraw/zinc/74/09/05/794740905.db2.gz XVKMNFLLLBQZDI-CBZIJGRNSA-N 2 2 316.449 2.064 20 30 DEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178977713 795033908 /nfs/dbraw/zinc/03/39/08/795033908.db2.gz CBNKWBHMDDLDKD-HOCLYGCPSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182856088 795766806 /nfs/dbraw/zinc/76/68/06/795766806.db2.gz QGJFRBFZNCWWNF-HDMKZQKVSA-N 2 2 318.465 2.239 20 30 DEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182856088 795766809 /nfs/dbraw/zinc/76/68/09/795766809.db2.gz QGJFRBFZNCWWNF-HDMKZQKVSA-N 2 2 318.465 2.239 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184652920 796100220 /nfs/dbraw/zinc/10/02/20/796100220.db2.gz PQSSIPYIESXNTB-CABCVRRESA-N 2 2 324.428 2.274 20 30 DEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184852068 796129344 /nfs/dbraw/zinc/12/93/44/796129344.db2.gz SLVQOOFWHGLKTH-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202855889 796259648 /nfs/dbraw/zinc/25/96/48/796259648.db2.gz JJLSGKBOVVWUHO-LSDHHAIUSA-N 2 2 316.449 2.326 20 30 DEEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816107 797084308 /nfs/dbraw/zinc/08/43/08/797084308.db2.gz BDWABRPFPBQHRA-DLBZAZTESA-N 2 2 316.449 2.026 20 30 DEEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816107 797084311 /nfs/dbraw/zinc/08/43/11/797084311.db2.gz BDWABRPFPBQHRA-DLBZAZTESA-N 2 2 316.449 2.026 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202208 797156513 /nfs/dbraw/zinc/15/65/13/797156513.db2.gz IWNXKIGRXUTVDQ-AWEZNQCLSA-N 2 2 321.490 2.167 20 30 DEEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202208 797156517 /nfs/dbraw/zinc/15/65/17/797156517.db2.gz IWNXKIGRXUTVDQ-AWEZNQCLSA-N 2 2 321.490 2.167 20 30 DEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618189 797212150 /nfs/dbraw/zinc/21/21/50/797212150.db2.gz KAQMBFWZMFUVBR-QGZVFWFLSA-N 2 2 318.465 2.137 20 30 DEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427116 797381017 /nfs/dbraw/zinc/38/10/17/797381017.db2.gz WKUIDAIMCKOMQR-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192427116 797381023 /nfs/dbraw/zinc/38/10/23/797381023.db2.gz WKUIDAIMCKOMQR-BZUAXINKSA-N 2 2 316.449 2.023 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194927630 797798270 /nfs/dbraw/zinc/79/82/70/797798270.db2.gz UFUKDFKCOMPOAQ-KRWDZBQOSA-N 2 2 324.428 2.467 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194927630 797798272 /nfs/dbraw/zinc/79/82/72/797798272.db2.gz UFUKDFKCOMPOAQ-KRWDZBQOSA-N 2 2 324.428 2.467 20 30 DEEDLP C=CCCCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197818142 798248013 /nfs/dbraw/zinc/24/80/13/798248013.db2.gz WWECJWCIYSLSGX-UHFFFAOYSA-N 2 2 318.465 2.243 20 30 DEEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197818142 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C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C(C)(C)[C@H]21 ZINC001316723632 1147591904 /nfs/dbraw/zinc/59/19/04/1147591904.db2.gz QIBSBWKFLDCXTQ-OIISXLGYSA-N 2 2 316.449 2.134 20 30 DEEDLP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001316935811 1147634604 /nfs/dbraw/zinc/63/46/04/1147634604.db2.gz PDAGUKXBTQXYBT-CQSZACIVSA-N 2 2 304.438 2.230 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317164465 1147668860 /nfs/dbraw/zinc/66/88/60/1147668860.db2.gz XOROSCHAWTXEEK-JKSUJKDBSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317367578 1147697217 /nfs/dbraw/zinc/69/72/17/1147697217.db2.gz XYZMDZRRFTXAFX-HZPDHXFCSA-N 2 2 304.438 2.256 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960790 355396072 /nfs/dbraw/zinc/39/60/72/355396072.db2.gz PKKJMDGCVGKUBK-JKIFEVAISA-N 2 2 317.437 2.032 20 30 DEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960790 355396077 /nfs/dbraw/zinc/39/60/77/355396077.db2.gz PKKJMDGCVGKUBK-JKIFEVAISA-N 2 2 317.437 2.032 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089799462 355543545 /nfs/dbraw/zinc/54/35/45/355543545.db2.gz HMYPWZJUGGAYJK-WOJBJXKFSA-N 2 2 321.424 2.283 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000089799462 355543549 /nfs/dbraw/zinc/54/35/49/355543549.db2.gz HMYPWZJUGGAYJK-WOJBJXKFSA-N 2 2 321.424 2.283 20 30 DEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000593999512 358187373 /nfs/dbraw/zinc/18/73/73/358187373.db2.gz YZWBSHQOWVFJCV-UHFFFAOYSA-N 2 2 301.434 2.192 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668154555 540599353 /nfs/dbraw/zinc/59/93/53/540599353.db2.gz PRDRTAQWUMWNAO-UHFFFAOYSA-N 2 2 313.405 2.415 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609258161 361293684 /nfs/dbraw/zinc/29/36/84/361293684.db2.gz NLLWDAUBGWPDOM-KRWDZBQOSA-N 2 2 323.400 2.420 20 30 DEEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609258161 361293685 /nfs/dbraw/zinc/29/36/85/361293685.db2.gz NLLWDAUBGWPDOM-KRWDZBQOSA-N 2 2 323.400 2.420 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677475 361444689 /nfs/dbraw/zinc/44/46/89/361444689.db2.gz MNPHIAXVVSXNTN-QFBILLFUSA-N 2 2 312.461 2.084 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677475 361444693 /nfs/dbraw/zinc/44/46/93/361444693.db2.gz MNPHIAXVVSXNTN-QFBILLFUSA-N 2 2 312.461 2.084 20 30 DEEDLP C[C@@H](CC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271807999 209233518 /nfs/dbraw/zinc/23/35/18/209233518.db2.gz AFQDQYWQDQYNJF-INIZCTEOSA-N 3 2 314.477 2.452 20 30 DEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852939 285369630 /nfs/dbraw/zinc/36/96/30/285369630.db2.gz GGPJVMLRFCUDSY-JKSUJKDBSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852939 285369631 /nfs/dbraw/zinc/36/96/31/285369631.db2.gz GGPJVMLRFCUDSY-JKSUJKDBSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852939 285369632 /nfs/dbraw/zinc/36/96/32/285369632.db2.gz GGPJVMLRFCUDSY-JKSUJKDBSA-N 2 2 320.481 2.134 20 30 DEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000330852939 285369633 /nfs/dbraw/zinc/36/96/33/285369633.db2.gz GGPJVMLRFCUDSY-JKSUJKDBSA-N 2 2 320.481 2.134 20 30 DEEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000291686215 404478903 /nfs/dbraw/zinc/47/89/03/404478903.db2.gz IKQCFMIFLXLMQO-INIZCTEOSA-N 3 2 314.477 2.310 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150752665 401994625 /nfs/dbraw/zinc/99/46/25/401994625.db2.gz RQZAIEKEHIHMPK-DLBZAZTESA-N 2 2 307.482 2.217 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150752665 401994628 /nfs/dbraw/zinc/99/46/28/401994628.db2.gz RQZAIEKEHIHMPK-DLBZAZTESA-N 2 2 307.482 2.217 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154729820 402228111 /nfs/dbraw/zinc/22/81/11/402228111.db2.gz AEQWTNWAKLQNCV-IRXDYDNUSA-N 2 2 307.482 2.121 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154729820 402228115 /nfs/dbraw/zinc/22/81/15/402228115.db2.gz AEQWTNWAKLQNCV-IRXDYDNUSA-N 2 2 307.482 2.121 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(C#N)ccc1F ZINC000177379583 402396056 /nfs/dbraw/zinc/39/60/56/402396056.db2.gz ZGHMMPMVZNATGM-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(C#N)ccc1F ZINC000177379583 402396060 /nfs/dbraw/zinc/39/60/60/402396060.db2.gz ZGHMMPMVZNATGM-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000177379583 402396063 /nfs/dbraw/zinc/39/60/63/402396063.db2.gz ZGHMMPMVZNATGM-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000177379583 402396065 /nfs/dbraw/zinc/39/60/65/402396065.db2.gz ZGHMMPMVZNATGM-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182968146 402729888 /nfs/dbraw/zinc/72/98/88/402729888.db2.gz JKLNRBQCGVOPNS-SFHVURJKSA-N 2 2 318.465 2.254 20 30 DEEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000272057118 402891938 /nfs/dbraw/zinc/89/19/38/402891938.db2.gz STNXXURQVTYKDG-UHFFFAOYSA-N 2 2 321.852 2.196 20 30 DEEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280255751 402980272 /nfs/dbraw/zinc/98/02/72/402980272.db2.gz OXSOOVQMQYLSPB-AWEZNQCLSA-N 2 2 324.428 2.120 20 30 DEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cncc(F)c2)cc1 ZINC000280994700 403056383 /nfs/dbraw/zinc/05/63/83/403056383.db2.gz NBAIZLPTIJBEID-UHFFFAOYSA-N 2 2 302.353 2.119 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347218221 403625739 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2.264 20 30 DEEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000439003174 405261938 /nfs/dbraw/zinc/26/19/38/405261938.db2.gz PXUCVIXJNFLXMW-DLBZAZTESA-N 2 2 307.482 2.264 20 30 DEEDLP COc1ccccc1[C@@H](CNc1cc(C)[nH+]cc1C#N)[NH+](C)C ZINC000425197644 405256978 /nfs/dbraw/zinc/25/69/78/405256978.db2.gz CKWFXKFLDKDOIY-QGZVFWFLSA-N 2 2 310.401 2.407 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000454531397 405359247 /nfs/dbraw/zinc/35/92/47/405359247.db2.gz BKOWYCNIQIBIFK-UHFFFAOYSA-N 2 2 302.422 2.148 20 30 DEEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000427005974 405385581 /nfs/dbraw/zinc/38/55/81/405385581.db2.gz WMWKFGWUNFLNHT-UHFFFAOYSA-N 2 2 306.837 2.080 20 30 DEEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000427005974 405385584 /nfs/dbraw/zinc/38/55/84/405385584.db2.gz WMWKFGWUNFLNHT-UHFFFAOYSA-N 2 2 306.837 2.080 20 30 DEEDLP N#CC1(F)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420964085 405416254 /nfs/dbraw/zinc/41/62/54/405416254.db2.gz NGAWSCUHCTXOBP-UHFFFAOYSA-N 2 2 317.408 2.346 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638847131 405711935 /nfs/dbraw/zinc/71/19/35/405711935.db2.gz LTZGZPNOAYSSSU-FUHWJXTLSA-N 2 2 313.445 2.246 20 30 DEEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638847131 405711943 /nfs/dbraw/zinc/71/19/43/405711943.db2.gz LTZGZPNOAYSSSU-FUHWJXTLSA-N 2 2 313.445 2.246 20 30 DEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1C[C@H]1C ZINC000262575286 277752601 /nfs/dbraw/zinc/75/26/01/277752601.db2.gz OBWREWPSMCEWQP-RBSFLKMASA-N 2 2 304.438 2.380 20 30 DEEDLP CN(C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1c[nH+]cn1C ZINC000329215076 289269795 /nfs/dbraw/zinc/26/97/95/289269795.db2.gz MDBUUPYQELTRKT-OAHLLOKOSA-N 2 2 321.469 2.242 20 30 DEEDLP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCSCC1 ZINC000104154308 295005819 /nfs/dbraw/zinc/00/58/19/295005819.db2.gz KGDRWBBMPCWILY-AWEZNQCLSA-N 2 2 322.478 2.170 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000575769168 326244943 /nfs/dbraw/zinc/24/49/43/326244943.db2.gz KLLZYUFASYUZLI-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000575769168 326244946 /nfs/dbraw/zinc/24/49/46/326244946.db2.gz KLLZYUFASYUZLI-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245624 1149078620 /nfs/dbraw/zinc/07/86/20/1149078620.db2.gz VRJKVQONZCRPDM-CZUORRHYSA-N 2 2 318.465 2.442 20 30 DEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001330245624 1149078628 /nfs/dbraw/zinc/07/86/28/1149078628.db2.gz VRJKVQONZCRPDM-CZUORRHYSA-N 2 2 318.465 2.442 20 30 DEEDLP C=CC[N@@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000189424778 526301211 /nfs/dbraw/zinc/30/12/11/526301211.db2.gz VIZQNVIMVGSUMR-MRXNPFEDSA-N 2 2 317.433 2.148 20 30 DEEDLP C=CC[N@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 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ONUPZSKYLMTGKO-OAHLLOKOSA-N 2 2 306.454 2.429 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449696 783140301 /nfs/dbraw/zinc/14/03/01/783140301.db2.gz IMRZRYPGFRWMKB-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449696 783140304 /nfs/dbraw/zinc/14/03/04/783140304.db2.gz IMRZRYPGFRWMKB-HIFRSBDPSA-N 2 2 310.401 2.169 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538777 783193878 /nfs/dbraw/zinc/19/38/78/783193878.db2.gz FXGVWFKTWFMRNL-OAHLLOKOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538777 783193883 /nfs/dbraw/zinc/19/38/83/783193883.db2.gz FXGVWFKTWFMRNL-OAHLLOKOSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073048799 790416899 /nfs/dbraw/zinc/41/68/99/790416899.db2.gz JOTCBNZFQVBNMN-HNNXBMFYSA-N 2 2 316.449 2.089 20 30 DEEDLP 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ISYNPWWOTIEVBL-KSZLIROESA-N 2 2 319.493 2.099 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001088396028 780067853 /nfs/dbraw/zinc/06/78/53/780067853.db2.gz WLKMPCPAZMWFQL-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001088396028 780067859 /nfs/dbraw/zinc/06/78/59/780067859.db2.gz WLKMPCPAZMWFQL-GJZGRUSLSA-N 2 2 304.438 2.135 20 30 DEEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948373313 783443841 /nfs/dbraw/zinc/44/38/41/783443841.db2.gz MFAGIDQBAIMWCF-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948373313 783443846 /nfs/dbraw/zinc/44/38/46/783443846.db2.gz MFAGIDQBAIMWCF-KRWDZBQOSA-N 2 2 324.428 2.202 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903348 783806737 /nfs/dbraw/zinc/80/67/37/783806737.db2.gz FJLUXDFFOSOJEM-GDBMZVCRSA-N 2 2 318.465 2.329 20 30 DEEDLP 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TXFQDGVKNMGXBR-SJLPKXTDSA-N 2 2 316.449 2.422 20 30 DEEDLP C=CCC[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001508024947 1063502671 /nfs/dbraw/zinc/50/26/71/1063502671.db2.gz FWSBPSQORHOOIH-HNNXBMFYSA-N 2 2 306.454 2.049 20 30 DEEDLP C=CCCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001567443976 1064201231 /nfs/dbraw/zinc/20/12/31/1064201231.db2.gz CXGMYHJCSNSQGQ-UHFFFAOYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CCCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001567443976 1064201233 /nfs/dbraw/zinc/20/12/33/1064201233.db2.gz CXGMYHJCSNSQGQ-UHFFFAOYSA-N 2 2 312.417 2.495 20 30 DEEDLP C=CCC[C@H](C)[NH+]1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001567798020 1064429633 /nfs/dbraw/zinc/42/96/33/1064429633.db2.gz FIPSHXNLWORGIB-AWEZNQCLSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CC[N@H+](C)CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001568438306 1064873588 /nfs/dbraw/zinc/87/35/88/1064873588.db2.gz BRSKXRWTRRVRGL-UHFFFAOYSA-N 2 2 304.438 2.020 20 30 DEEDLP C=CC[N@@H+](C)CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001568438306 1064873591 /nfs/dbraw/zinc/87/35/91/1064873591.db2.gz BRSKXRWTRRVRGL-UHFFFAOYSA-N 2 2 304.438 2.020 20 30 DEEDLP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001495391170 1064876023 /nfs/dbraw/zinc/87/60/23/1064876023.db2.gz NMRNLBQMOGKTNI-CVEARBPZSA-N 2 2 304.438 2.239 20 30 DEEDLP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001496180966 1065327582 /nfs/dbraw/zinc/32/75/82/1065327582.db2.gz ATVVFXBRKIFYQU-HNNXBMFYSA-N 2 2 314.433 2.198 20 30 DEEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001569843686 1065759170 /nfs/dbraw/zinc/75/91/70/1065759170.db2.gz SWNFMKIVTKPCHP-WMLDXEAASA-N 2 2 313.445 2.328 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001496898588 1065788417 /nfs/dbraw/zinc/78/84/17/1065788417.db2.gz LDPVDWQBFUWIPU-HZPDHXFCSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001620772629 1066318558 /nfs/dbraw/zinc/31/85/58/1066318558.db2.gz ONPWAVRQNAUAAL-UHFFFAOYSA-N 3 2 317.477 2.367 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001499835052 1067353674 /nfs/dbraw/zinc/35/36/74/1067353674.db2.gz LOINPVQEVAFUIQ-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001499835052 1067353685 /nfs/dbraw/zinc/35/36/85/1067353685.db2.gz LOINPVQEVAFUIQ-LSDHHAIUSA-N 2 2 304.438 2.278 20 30 DEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267046309 1078525479 /nfs/dbraw/zinc/52/54/79/1078525479.db2.gz ATDAINFJJSVMSS-DLBZAZTESA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001483443635 1078536836 /nfs/dbraw/zinc/53/68/36/1078536836.db2.gz MNPJXAZJGMUKLJ-RDJZCZTQSA-N 2 2 318.465 2.193 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC ZINC001483615687 1078627652 /nfs/dbraw/zinc/62/76/52/1078627652.db2.gz AIDHFRSWYNPHQT-IAGOWNOFSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001570560988 1068008044 /nfs/dbraw/zinc/00/80/44/1068008044.db2.gz KBRIKJGSJPNAKP-UHFFFAOYSA-N 2 2 312.417 2.317 20 30 DEEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001570909173 1068158003 /nfs/dbraw/zinc/15/80/03/1068158003.db2.gz DSMMFKLFEBWGGP-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001570909173 1068158008 /nfs/dbraw/zinc/15/80/08/1068158008.db2.gz DSMMFKLFEBWGGP-INIZCTEOSA-N 2 2 318.465 2.456 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001483705820 1078830284 /nfs/dbraw/zinc/83/02/84/1078830284.db2.gz JIRHOIUUPVMUAC-IAGOWNOFSA-N 2 2 301.434 2.056 20 30 DEEDLP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001267520562 1078950762 /nfs/dbraw/zinc/95/07/62/1078950762.db2.gz MJDFQTQPBQBMGO-AEFFLSMTSA-N 2 2 324.428 2.079 20 30 DEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(O)cccc1Br ZINC000706828453 1086652420 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C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001566740249 1075331541 /nfs/dbraw/zinc/33/15/41/1075331541.db2.gz SYZBVSGZFAONHG-INIZCTEOSA-N 2 2 324.428 2.060 20 30 DEEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001566740249 1075331543 /nfs/dbraw/zinc/33/15/43/1075331543.db2.gz SYZBVSGZFAONHG-INIZCTEOSA-N 2 2 324.428 2.060 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001567132283 1075439596 /nfs/dbraw/zinc/43/95/96/1075439596.db2.gz APCQXMBLNTYVJI-HOTGVXAUSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567142045 1075442766 /nfs/dbraw/zinc/44/27/66/1075442766.db2.gz OFADXXNJODRADO-HZPDHXFCSA-N 2 2 304.438 2.239 20 30 DEEDLP C=CC[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1CC ZINC001484323004 1079538208 /nfs/dbraw/zinc/53/82/08/1079538208.db2.gz JKGRDVOFKMNCGD-KRWDZBQOSA-N 2 2 312.417 2.148 20 30 DEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001484373610 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HFKCHDCPPDKSJC-ARFHVFGLSA-N 2 2 316.449 2.023 20 30 DEEDLP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001485034207 1079930516 /nfs/dbraw/zinc/93/05/16/1079930516.db2.gz NACPLMLREYMDJQ-UHFFFAOYSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001485034207 1079930522 /nfs/dbraw/zinc/93/05/22/1079930522.db2.gz NACPLMLREYMDJQ-UHFFFAOYSA-N 2 2 324.856 2.196 20 30 DEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001481504313 1079963736 /nfs/dbraw/zinc/96/37/36/1079963736.db2.gz LGZFCQMQKRLSDC-AWEZNQCLSA-N 2 2 304.438 2.044 20 30 DEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001481504313 1079963748 /nfs/dbraw/zinc/96/37/48/1079963748.db2.gz LGZFCQMQKRLSDC-AWEZNQCLSA-N 2 2 304.438 2.044 20 30 DEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001656160705 1080056724 /nfs/dbraw/zinc/05/67/24/1080056724.db2.gz POMAAUFZHZENKX-HRCADAONSA-N 2 2 304.438 2.285 20 30 DEEDLP 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ZINC001327157306 1148339206 /nfs/dbraw/zinc/33/92/06/1148339206.db2.gz QEOWQQLLMWIROP-CABCVRRESA-N 2 2 304.438 2.278 20 30 DEEDLP CN1CCC[NH+]=C1NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000263170989 530053911 /nfs/dbraw/zinc/05/39/11/530053911.db2.gz RZZCGPRINZEUES-UHFFFAOYSA-N 2 2 303.797 2.307 20 30 DEEDLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328696040 539910088 /nfs/dbraw/zinc/91/00/88/539910088.db2.gz KQLYLRBKKFUKBX-UHFFFAOYSA-N 2 2 317.437 2.130 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973940 198275083 /nfs/dbraw/zinc/27/50/83/198275083.db2.gz VAAUDYXZFFLZRS-WMZOPIPTSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973940 198275085 /nfs/dbraw/zinc/27/50/85/198275085.db2.gz VAAUDYXZFFLZRS-WMZOPIPTSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973940 198275087 /nfs/dbraw/zinc/27/50/87/198275087.db2.gz VAAUDYXZFFLZRS-WMZOPIPTSA-N 2 2 315.461 2.131 20 30 DEEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973940 198275089 /nfs/dbraw/zinc/27/50/89/198275089.db2.gz VAAUDYXZFFLZRS-WMZOPIPTSA-N 2 2 315.461 2.131 20 30 DEEDLP CC[N@@H+](C[C@H](C)C#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000066424633 354714846 /nfs/dbraw/zinc/71/48/46/354714846.db2.gz BRSYPAFPIISEEY-CJNGLKHVSA-N 2 2 314.433 2.496 20 30 DEEDLP CC[N@H+](C[C@H](C)C#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000066424633 354714849 /nfs/dbraw/zinc/71/48/49/354714849.db2.gz BRSYPAFPIISEEY-CJNGLKHVSA-N 2 2 314.433 2.496 20 30 DEEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1CC1 ZINC000080518765 355369155 /nfs/dbraw/zinc/36/91/55/355369155.db2.gz BBBXICPFNYFCGX-UHFFFAOYSA-N 2 2 301.369 2.086 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089799463 355543445 /nfs/dbraw/zinc/54/34/45/355543445.db2.gz HMYPWZJUGGAYJK-UXHICEINSA-N 2 2 321.424 2.283 20 30 DEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000089799463 355543449 /nfs/dbraw/zinc/54/34/49/355543449.db2.gz HMYPWZJUGGAYJK-UXHICEINSA-N 2 2 321.424 2.283 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCn3cccn3)CC2)cc1 ZINC000181922265 356100040 /nfs/dbraw/zinc/10/00/40/356100040.db2.gz GTNNKZVNOXNISG-UHFFFAOYSA-N 2 2 309.417 2.009 20 30 DEEDLP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000578639621 356849074 /nfs/dbraw/zinc/84/90/74/356849074.db2.gz AIEMDHOLASXYEI-HNNXBMFYSA-N 2 2 300.406 2.160 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866529 357771019 /nfs/dbraw/zinc/77/10/19/357771019.db2.gz BMNGDPSLBPIFBC-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866529 357771022 /nfs/dbraw/zinc/77/10/22/357771022.db2.gz BMNGDPSLBPIFBC-HZPDHXFCSA-N 2 2 304.438 2.333 20 30 DEEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322337 358054781 /nfs/dbraw/zinc/05/47/81/358054781.db2.gz MDVBLVIKIVAQJV-KXBFYZLASA-N 2 2 312.461 2.110 20 30 DEEDLP N#CCCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601105711 359922352 /nfs/dbraw/zinc/92/23/52/359922352.db2.gz NFSAGODDYLQDDG-UHFFFAOYSA-N 2 2 317.433 2.181 20 30 DEEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000602522055 360416461 /nfs/dbraw/zinc/41/64/61/360416461.db2.gz VCRVHFNUVRRDNA-UHFFFAOYSA-N 2 2 307.401 2.102 20 30 DEEDLP CC(C)(C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602613557 360457667 /nfs/dbraw/zinc/45/76/67/360457667.db2.gz KXJLTRJRYIPMNT-UHFFFAOYSA-N 2 2 317.433 2.037 20 30 DEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631064921 367996566 /nfs/dbraw/zinc/99/65/66/367996566.db2.gz PSHIJCFRGVGPJL-UHFFFAOYSA-N 2 2 309.479 2.462 20 30 DEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106065111 782000486 /nfs/dbraw/zinc/00/04/86/782000486.db2.gz PXDRQIPIAWVMRW-BZUAXINKSA-N 2 2 318.465 2.381 20 30 DEEDLP N#Cc1ccccc1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131932699 401859523 /nfs/dbraw/zinc/85/95/23/401859523.db2.gz GLJKRNOHHJRSAN-KRWDZBQOSA-N 2 2 309.369 2.485 20 30 DEEDLP N#Cc1ccccc1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131932699 401859524 /nfs/dbraw/zinc/85/95/24/401859524.db2.gz GLJKRNOHHJRSAN-KRWDZBQOSA-N 2 2 309.369 2.485 20 30 DEEDLP COCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000119870513 401969321 /nfs/dbraw/zinc/96/93/21/401969321.db2.gz RGZKGTYFPOLWIX-GOSISDBHSA-N 2 2 301.434 2.491 20 30 DEEDLP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000119870513 401969324 /nfs/dbraw/zinc/96/93/24/401969324.db2.gz RGZKGTYFPOLWIX-GOSISDBHSA-N 2 2 301.434 2.491 20 30 DEEDLP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000119870513 401969328 /nfs/dbraw/zinc/96/93/28/401969328.db2.gz RGZKGTYFPOLWIX-GOSISDBHSA-N 2 2 301.434 2.491 20 30 DEEDLP COCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000119870513 401969330 /nfs/dbraw/zinc/96/93/30/401969330.db2.gz RGZKGTYFPOLWIX-GOSISDBHSA-N 2 2 301.434 2.491 20 30 DEEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2F)CCCO1 ZINC000278075890 402853403 /nfs/dbraw/zinc/85/34/03/402853403.db2.gz ZOPCVHAVRMYGBQ-CQSZACIVSA-N 2 2 305.397 2.288 20 30 DEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2F)CCCO1 ZINC000278075890 402853405 /nfs/dbraw/zinc/85/34/05/402853405.db2.gz ZOPCVHAVRMYGBQ-CQSZACIVSA-N 2 2 305.397 2.288 20 30 DEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278786837 402871146 /nfs/dbraw/zinc/87/11/46/402871146.db2.gz ZRGPUNMFDQILOU-QGZVFWFLSA-N 2 2 324.432 2.043 20 30 DEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278786837 402871148 /nfs/dbraw/zinc/87/11/48/402871148.db2.gz ZRGPUNMFDQILOU-QGZVFWFLSA-N 2 2 324.432 2.043 20 30 DEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284305612 403261897 /nfs/dbraw/zinc/26/18/97/403261897.db2.gz ZABZIKXDAXQGFY-LBPRGKRZSA-N 2 2 304.394 2.478 20 30 DEEDLP C=CCNC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287369314 403584975 /nfs/dbraw/zinc/58/49/75/403584975.db2.gz ZBEWEPZFJLWNLN-MRXNPFEDSA-N 2 2 304.438 2.167 20 30 DEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000348327637 404061009 /nfs/dbraw/zinc/06/10/09/404061009.db2.gz RKBIWPWLDHHUTG-RYRKJORJSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000348327637 404061013 /nfs/dbraw/zinc/06/10/13/404061013.db2.gz RKBIWPWLDHHUTG-RYRKJORJSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000348327637 404061017 /nfs/dbraw/zinc/06/10/17/404061017.db2.gz RKBIWPWLDHHUTG-RYRKJORJSA-N 2 2 322.497 2.093 20 30 DEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000348327637 404061022 /nfs/dbraw/zinc/06/10/22/404061022.db2.gz RKBIWPWLDHHUTG-RYRKJORJSA-N 2 2 322.497 2.093 20 30 DEEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328925677 404174253 /nfs/dbraw/zinc/17/42/53/404174253.db2.gz OKNTWJWQGWEMNJ-CYBMUJFWSA-N 2 2 313.405 2.178 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000366230926 404776674 /nfs/dbraw/zinc/77/66/74/404776674.db2.gz CWKLPXXEEKBQMH-VDZJLULYSA-N 2 2 314.429 2.212 20 30 DEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000366230926 404776677 /nfs/dbraw/zinc/77/66/77/404776677.db2.gz CWKLPXXEEKBQMH-VDZJLULYSA-N 2 2 314.429 2.212 20 30 DEEDLP C=C(C)C(C)(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424630514 405132779 /nfs/dbraw/zinc/13/27/79/405132779.db2.gz QIHQBYIQQCMDSC-UHFFFAOYSA-N 2 2 307.482 2.264 20 30 DEEDLP C=CC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458982244 405676761 /nfs/dbraw/zinc/67/67/61/405676761.db2.gz AHGSCYIEAUIOIR-OAHLLOKOSA-N 2 2 322.497 2.009 20 30 DEEDLP C=CC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458982244 405676767 /nfs/dbraw/zinc/67/67/67/405676767.db2.gz AHGSCYIEAUIOIR-OAHLLOKOSA-N 2 2 322.497 2.009 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423386636 405785408 /nfs/dbraw/zinc/78/54/08/405785408.db2.gz MDEHFBHGJKIMBS-PKOBYXMFSA-N 3 2 312.461 2.382 20 30 DEEDLP Cn1c[nH+]cc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000530513167 405817322 /nfs/dbraw/zinc/81/73/22/405817322.db2.gz NECAYOUQJBRSCQ-UHFFFAOYSA-N 3 2 323.444 2.088 20 30 DEEDLP Cn1c[nH+]cc1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000530513167 405817324 /nfs/dbraw/zinc/81/73/24/405817324.db2.gz NECAYOUQJBRSCQ-UHFFFAOYSA-N 2 2 323.444 2.088 20 30 DEEDLP C=CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635531690 406577239 /nfs/dbraw/zinc/57/72/39/406577239.db2.gz VOBOAUDDUOWBLS-INIZCTEOSA-N 2 2 304.438 2.237 20 30 DEEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NCCC(C)C ZINC000264106712 225304657 /nfs/dbraw/zinc/30/46/57/225304657.db2.gz PSFXDJWUFMSSIZ-UHFFFAOYSA-N 2 2 300.410 2.026 20 30 DEEDLP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000417357313 229012898 /nfs/dbraw/zinc/01/28/98/229012898.db2.gz RDZVLWPWWOHNEJ-UHFFFAOYSA-N 2 2 312.461 2.206 20 30 DEEDLP C=CCCC(C)(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664540029 425406755 /nfs/dbraw/zinc/40/67/55/425406755.db2.gz TVKXVOPHVRLJCY-UHFFFAOYSA-N 2 2 310.486 2.056 20 30 DEEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000662665011 425706906 /nfs/dbraw/zinc/70/69/06/425706906.db2.gz GBFBTMAWQZNAOG-QGZVFWFLSA-N 2 2 319.474 2.091 20 30 DEEDLP N#Cc1cccc(NC(=O)CC[NH2+]CCCCn2cc[nH+]c2)c1 ZINC001348958636 1151213392 /nfs/dbraw/zinc/21/33/92/1151213392.db2.gz WQLKSYZMZZMQQT-UHFFFAOYSA-N 2 2 311.389 2.153 20 30 DEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404023 298135439 /nfs/dbraw/zinc/13/54/39/298135439.db2.gz OETBXCDOZXSKMX-CVEARBPZSA-N 2 2 320.481 2.134 20 30 DEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404023 298135442 /nfs/dbraw/zinc/13/54/42/298135442.db2.gz OETBXCDOZXSKMX-CVEARBPZSA-N 2 2 320.481 2.134 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001378195256 1152208319 /nfs/dbraw/zinc/20/83/19/1152208319.db2.gz BPUNWTGQUQTKIE-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001378195256 1152208322 /nfs/dbraw/zinc/20/83/22/1152208322.db2.gz BPUNWTGQUQTKIE-AWEZNQCLSA-N 2 2 301.862 2.004 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001378225768 1152234649 /nfs/dbraw/zinc/23/46/49/1152234649.db2.gz IITNHNJEWITHTH-OAHLLOKOSA-N 2 2 323.868 2.307 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001378225768 1152234657 /nfs/dbraw/zinc/23/46/57/1152234657.db2.gz IITNHNJEWITHTH-OAHLLOKOSA-N 2 2 323.868 2.307 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001378225768 1152234664 /nfs/dbraw/zinc/23/46/64/1152234664.db2.gz IITNHNJEWITHTH-OAHLLOKOSA-N 2 2 323.868 2.307 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001378225768 1152234678 /nfs/dbraw/zinc/23/46/78/1152234678.db2.gz IITNHNJEWITHTH-OAHLLOKOSA-N 2 2 323.868 2.307 20 30 DEEDLP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329885978 1149009007 /nfs/dbraw/zinc/00/90/07/1149009007.db2.gz AIDDFJYJPKQIRM-HNNXBMFYSA-N 2 2 312.417 2.464 20 30 DEEDLP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCc2sccc2C1 ZINC000262024030 534299386 /nfs/dbraw/zinc/29/93/86/534299386.db2.gz YYLCMRAEKYWFFG-GFCCVEGCSA-N 2 2 306.479 2.199 20 30 DEEDLP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@H+]1CCc2sccc2C1 ZINC000262024030 534299388 /nfs/dbraw/zinc/29/93/88/534299388.db2.gz YYLCMRAEKYWFFG-GFCCVEGCSA-N 2 2 306.479 2.199 20 30 DEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262239696 526368063 /nfs/dbraw/zinc/36/80/63/526368063.db2.gz NVIUZSYAZSJSJF-ARFHVFGLSA-N 2 2 303.454 2.407 20 30 DEEDLP C=C(CC)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422199700 526857657 /nfs/dbraw/zinc/85/76/57/526857657.db2.gz BNJYYGJGKUNSKQ-UHFFFAOYSA-N 2 2 322.497 2.154 20 30 DEEDLP C=C(CC)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422199700 526857661 /nfs/dbraw/zinc/85/76/61/526857661.db2.gz BNJYYGJGKUNSKQ-UHFFFAOYSA-N 2 2 322.497 2.154 20 30 DEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000130855811 527407449 /nfs/dbraw/zinc/40/74/49/527407449.db2.gz IUFWHZUFBIPFQP-UHFFFAOYSA-N 2 2 317.418 2.085 20 30 DEEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000130855811 527407463 /nfs/dbraw/zinc/40/74/63/527407463.db2.gz IUFWHZUFBIPFQP-UHFFFAOYSA-N 2 2 317.418 2.085 20 30 DEEDLP C=CCCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001327958681 1148686107 /nfs/dbraw/zinc/68/61/07/1148686107.db2.gz NISLWFDPHVYKKR-CVEARBPZSA-N 2 2 304.438 2.066 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969659792 622871271 /nfs/dbraw/zinc/87/12/71/622871271.db2.gz KLCIWJPUQNSXHO-HIFRSBDPSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969659792 622871277 /nfs/dbraw/zinc/87/12/77/622871277.db2.gz KLCIWJPUQNSXHO-HIFRSBDPSA-N 2 2 313.873 2.048 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969797151 622924557 /nfs/dbraw/zinc/92/45/57/622924557.db2.gz NNFUCGKFAMCAMY-UKRRQHHQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969797151 622924561 /nfs/dbraw/zinc/92/45/61/622924561.db2.gz NNFUCGKFAMCAMY-UKRRQHHQSA-N 2 2 313.873 2.050 20 30 DEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947539651 625152680 /nfs/dbraw/zinc/15/26/80/625152680.db2.gz FGBFPQLUZNVFSD-LSDHHAIUSA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947539651 625152684 /nfs/dbraw/zinc/15/26/84/625152684.db2.gz FGBFPQLUZNVFSD-LSDHHAIUSA-N 2 2 312.417 2.493 20 30 DEEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440523 625778634 /nfs/dbraw/zinc/77/86/34/625778634.db2.gz QOVRLBOBXQDKEB-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440523 625778636 /nfs/dbraw/zinc/77/86/36/625778636.db2.gz QOVRLBOBXQDKEB-KRWDZBQOSA-N 2 2 324.428 2.250 20 30 DEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999386328 634580862 /nfs/dbraw/zinc/58/08/62/634580862.db2.gz WHVNANCVWRYHRP-BPCQOVAHSA-N 2 2 322.840 2.161 20 30 DEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974585745 633166444 /nfs/dbraw/zinc/16/64/44/633166444.db2.gz UXRBTTRLWDDYQE-HNNXBMFYSA-N 2 2 312.417 2.269 20 30 DEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974585745 633166447 /nfs/dbraw/zinc/16/64/47/633166447.db2.gz UXRBTTRLWDDYQE-HNNXBMFYSA-N 2 2 312.417 2.269 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878837 634848540 /nfs/dbraw/zinc/84/85/40/634848540.db2.gz IYAJUQKGNDAKCX-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027878837 634848544 /nfs/dbraw/zinc/84/85/44/634848544.db2.gz IYAJUQKGNDAKCX-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878837 634848546 /nfs/dbraw/zinc/84/85/46/634848546.db2.gz IYAJUQKGNDAKCX-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878837 634848549 /nfs/dbraw/zinc/84/85/49/634848549.db2.gz IYAJUQKGNDAKCX-LSDHHAIUSA-N 2 2 313.873 2.192 20 30 DEEDLP CC#CC[NH+]1CCC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001001406501 635489072 /nfs/dbraw/zinc/48/90/72/635489072.db2.gz BCYWCOZHHQAQRN-UHFFFAOYSA-N 2 2 324.428 2.108 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004460714 636460986 /nfs/dbraw/zinc/46/09/86/636460986.db2.gz VZCDAGWLOKTXLM-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004460714 636460993 /nfs/dbraw/zinc/46/09/93/636460993.db2.gz VZCDAGWLOKTXLM-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004460714 636460997 /nfs/dbraw/zinc/46/09/97/636460997.db2.gz VZCDAGWLOKTXLM-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004460714 636461001 /nfs/dbraw/zinc/46/10/01/636461001.db2.gz VZCDAGWLOKTXLM-QGZVFWFLSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005981584 637027800 /nfs/dbraw/zinc/02/78/00/637027800.db2.gz VVIONSWSURQHNX-OAHLLOKOSA-N 2 2 316.449 2.329 20 30 DEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875283 637034502 /nfs/dbraw/zinc/03/45/02/637034502.db2.gz LCIJGNYLPMACMK-IYBDPMFKSA-N 2 2 316.449 2.007 20 30 DEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875283 637034516 /nfs/dbraw/zinc/03/45/16/637034516.db2.gz LCIJGNYLPMACMK-IYBDPMFKSA-N 2 2 316.449 2.007 20 30 DEEDLP CC(C)(CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438874 640658114 /nfs/dbraw/zinc/65/81/14/640658114.db2.gz YDLACJJOZIQDBF-UHFFFAOYSA-N 2 2 301.434 2.131 20 30 DEEDLP C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780637581 642652842 /nfs/dbraw/zinc/65/28/42/642652842.db2.gz RZFYOLYPHYRNKB-GOSISDBHSA-N 2 2 319.493 2.197 20 30 DEEDLP C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780637581 642652843 /nfs/dbraw/zinc/65/28/43/642652843.db2.gz RZFYOLYPHYRNKB-GOSISDBHSA-N 2 2 319.493 2.197 20 30 DEEDLP CCOCCC[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912499689 646087391 /nfs/dbraw/zinc/08/73/91/646087391.db2.gz YHIAGZWDJIEIPP-UHFFFAOYSA-N 2 2 323.485 2.424 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992432243 646998240 /nfs/dbraw/zinc/99/82/40/646998240.db2.gz PYICTJJDCUFTCC-WMZOPIPTSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992432243 646998243 /nfs/dbraw/zinc/99/82/43/646998243.db2.gz PYICTJJDCUFTCC-WMZOPIPTSA-N 2 2 316.449 2.042 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992476474 647049630 /nfs/dbraw/zinc/04/96/30/647049630.db2.gz LOWFHQGJIPMTHX-ZBFHGGJFSA-N 2 2 322.840 2.057 20 30 DEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992476474 647049632 /nfs/dbraw/zinc/04/96/32/647049632.db2.gz LOWFHQGJIPMTHX-ZBFHGGJFSA-N 2 2 322.840 2.057 20 30 DEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C#CC(C)(C)C)CC2)CC1 ZINC000817657110 647337347 /nfs/dbraw/zinc/33/73/47/647337347.db2.gz UHJXVMWPKLBITD-UHFFFAOYSA-N 2 2 319.493 2.055 20 30 DEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C#CC(C)(C)C)CC2)CC1 ZINC000817657110 647337348 /nfs/dbraw/zinc/33/73/48/647337348.db2.gz UHJXVMWPKLBITD-UHFFFAOYSA-N 2 2 319.493 2.055 20 30 DEEDLP C#Cc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000819357063 647643043 /nfs/dbraw/zinc/64/30/43/647643043.db2.gz KNJSDSMTIAEQRD-FQEVSTJZSA-N 2 2 308.425 2.250 20 30 DEEDLP C#Cc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000819357063 647643048 /nfs/dbraw/zinc/64/30/48/647643048.db2.gz KNJSDSMTIAEQRD-FQEVSTJZSA-N 2 2 308.425 2.250 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166326 649013990 /nfs/dbraw/zinc/01/39/90/649013990.db2.gz FTMOLNBXLFDQBX-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166326 649013991 /nfs/dbraw/zinc/01/39/91/649013991.db2.gz FTMOLNBXLFDQBX-MRXNPFEDSA-N 2 2 318.465 2.146 20 30 DEEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000848534328 651468123 /nfs/dbraw/zinc/46/81/23/651468123.db2.gz QMZFRWICNZNUCB-ROUUACIJSA-N 2 2 313.445 2.441 20 30 DEEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000848534328 651468124 /nfs/dbraw/zinc/46/81/24/651468124.db2.gz QMZFRWICNZNUCB-ROUUACIJSA-N 2 2 313.445 2.441 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392733521 1157381747 /nfs/dbraw/zinc/38/17/47/1157381747.db2.gz YEECVWVMUPTIOG-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392733521 1157381758 /nfs/dbraw/zinc/38/17/58/1157381758.db2.gz YEECVWVMUPTIOG-LSDHHAIUSA-N 2 2 315.889 2.296 20 30 DEEDLP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000104167898 684058710 /nfs/dbraw/zinc/05/87/10/684058710.db2.gz CRRFPPFGSYKTSG-CZUORRHYSA-N 2 2 306.429 2.475 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212485 693884466 /nfs/dbraw/zinc/88/44/66/693884466.db2.gz HVZKXXKMWCUUAS-MAUKXSAKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212485 693884469 /nfs/dbraw/zinc/88/44/69/693884469.db2.gz HVZKXXKMWCUUAS-MAUKXSAKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212485 693884472 /nfs/dbraw/zinc/88/44/72/693884472.db2.gz HVZKXXKMWCUUAS-MAUKXSAKSA-N 2 2 316.449 2.089 20 30 DEEDLP 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/nfs/dbraw/zinc/09/92/97/693099297.db2.gz RESJNVAMGWTEJE-KLZNWCGWSA-N 2 2 314.433 2.012 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050069856 693099304 /nfs/dbraw/zinc/09/93/04/693099304.db2.gz RESJNVAMGWTEJE-KLZNWCGWSA-N 2 2 314.433 2.012 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052462784 693540689 /nfs/dbraw/zinc/54/06/89/693540689.db2.gz ODBTVEIZGBVJGP-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052462784 693540691 /nfs/dbraw/zinc/54/06/91/693540691.db2.gz ODBTVEIZGBVJGP-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052462784 693540693 /nfs/dbraw/zinc/54/06/93/693540693.db2.gz ODBTVEIZGBVJGP-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052462784 693540694 /nfs/dbraw/zinc/54/06/94/693540694.db2.gz ODBTVEIZGBVJGP-RBSFLKMASA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001370857622 1155595663 /nfs/dbraw/zinc/59/56/63/1155595663.db2.gz XMDQZSJAIQTUJV-ZDUSSCGKSA-N 2 2 324.856 2.268 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001403237339 1162825029 /nfs/dbraw/zinc/82/50/29/1162825029.db2.gz DMRMZLCNHUQTIE-CQSZACIVSA-N 2 2 312.845 2.098 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001377615125 1160594151 /nfs/dbraw/zinc/59/41/51/1160594151.db2.gz VUDDEQOUBRDDMF-HOTGVXAUSA-N 2 2 321.852 2.280 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001377615125 1160594171 /nfs/dbraw/zinc/59/41/71/1160594171.db2.gz VUDDEQOUBRDDMF-HOTGVXAUSA-N 2 2 321.852 2.280 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001399636711 1161491609 /nfs/dbraw/zinc/49/16/09/1161491609.db2.gz BYLUXTFRCWNMCG-MRXNPFEDSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001399636711 1161491613 /nfs/dbraw/zinc/49/16/13/1161491613.db2.gz BYLUXTFRCWNMCG-MRXNPFEDSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001399636711 1161491616 /nfs/dbraw/zinc/49/16/16/1161491616.db2.gz BYLUXTFRCWNMCG-MRXNPFEDSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001399636711 1161491624 /nfs/dbraw/zinc/49/16/24/1161491624.db2.gz BYLUXTFRCWNMCG-MRXNPFEDSA-N 2 2 323.868 2.480 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001419415692 1168457500 /nfs/dbraw/zinc/45/75/00/1168457500.db2.gz MQZPEMHXKSDGMJ-UHFFFAOYSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001419592834 1168638877 /nfs/dbraw/zinc/63/88/77/1168638877.db2.gz MRRAZYMNXQZMKY-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001419592834 1168638886 /nfs/dbraw/zinc/63/88/86/1168638886.db2.gz MRRAZYMNXQZMKY-AWEZNQCLSA-N 2 2 301.862 2.051 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001423667894 1173477894 /nfs/dbraw/zinc/47/78/94/1173477894.db2.gz CROUSLUSWIUGBJ-UHFFFAOYSA-N 2 2 324.856 2.162 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001438755658 1180805296 /nfs/dbraw/zinc/80/52/96/1180805296.db2.gz SHVONFZAOWOAFC-AWEZNQCLSA-N 2 2 324.856 2.359 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001439348916 1181037101 /nfs/dbraw/zinc/03/71/01/1181037101.db2.gz KJFBAJGISLLGAG-GJZGRUSLSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001439348916 1181037104 /nfs/dbraw/zinc/03/71/04/1181037104.db2.gz KJFBAJGISLLGAG-GJZGRUSLSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001439348916 1181037109 /nfs/dbraw/zinc/03/71/09/1181037109.db2.gz KJFBAJGISLLGAG-GJZGRUSLSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001439348916 1181037115 /nfs/dbraw/zinc/03/71/15/1181037115.db2.gz KJFBAJGISLLGAG-GJZGRUSLSA-N 2 2 315.889 2.296 20 30 DEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001439382437 1181062155 /nfs/dbraw/zinc/06/21/55/1181062155.db2.gz CWAZJDXYPXAMJM-CYBMUJFWSA-N 2 2 312.845 2.161 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001439382437 1181062163 /nfs/dbraw/zinc/06/21/63/1181062163.db2.gz CWAZJDXYPXAMJM-CYBMUJFWSA-N 2 2 312.845 2.161 20 30 DEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001440799828 1181699022 /nfs/dbraw/zinc/69/90/22/1181699022.db2.gz ZVFKISOQEIYFNZ-OLZOCXBDSA-N 2 2 320.824 2.492 20 30 DEEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001441034016 1181831691 /nfs/dbraw/zinc/83/16/91/1181831691.db2.gz KBCUHHBLNZLRJY-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001441034016 1181831696 /nfs/dbraw/zinc/83/16/96/1181831696.db2.gz KBCUHHBLNZLRJY-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001441034016 1181831698 /nfs/dbraw/zinc/83/16/98/1181831698.db2.gz KBCUHHBLNZLRJY-KBPBESRZSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001444818640 1183569330 /nfs/dbraw/zinc/56/93/30/1183569330.db2.gz CCTZGLSDKUOUSI-HIFRSBDPSA-N 2 2 324.856 2.242 20 30 DEEDLP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001332146111 1149825090 /nfs/dbraw/zinc/82/50/90/1149825090.db2.gz LMWFZPBRTYTBMI-BZUAXINKSA-N 2 2 316.449 2.135 20 30 DEEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072847413 790272286 /nfs/dbraw/zinc/27/22/86/790272286.db2.gz IGDWEJGSQYZPND-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072847413 790272290 /nfs/dbraw/zinc/27/22/90/790272290.db2.gz IGDWEJGSQYZPND-UHFFFAOYSA-N 2 2 316.449 2.037 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464175 782728186 /nfs/dbraw/zinc/72/81/86/782728186.db2.gz KCEFAEQYNJDTBS-HZPDHXFCSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442805 783138850 /nfs/dbraw/zinc/13/88/50/783138850.db2.gz ZGSGIRJAWJEIDM-HUUCEWRRSA-N 2 2 304.438 2.082 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442805 783138855 /nfs/dbraw/zinc/13/88/55/783138855.db2.gz ZGSGIRJAWJEIDM-HUUCEWRRSA-N 2 2 304.438 2.082 20 30 DEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449695 783139947 /nfs/dbraw/zinc/13/99/47/783139947.db2.gz IMRZRYPGFRWMKB-DZGCQCFKSA-N 2 2 310.401 2.169 20 30 DEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449695 783139949 /nfs/dbraw/zinc/13/99/49/783139949.db2.gz IMRZRYPGFRWMKB-DZGCQCFKSA-N 2 2 310.401 2.169 20 30 DEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548567 783198051 /nfs/dbraw/zinc/19/80/51/783198051.db2.gz LRNBQXPHDQMRHQ-CQSZACIVSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548567 783198057 /nfs/dbraw/zinc/19/80/57/783198057.db2.gz LRNBQXPHDQMRHQ-CQSZACIVSA-N 2 2 304.438 2.053 20 30 DEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167500 776743632 /nfs/dbraw/zinc/74/36/32/776743632.db2.gz JVQYSVGLPVKUIE-AWEZNQCLSA-N 2 2 316.449 2.282 20 30 DEEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969037987 784700069 /nfs/dbraw/zinc/70/00/69/784700069.db2.gz QVOGHBVHDTXNBF-BZUAXINKSA-N 2 2 316.449 2.070 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475308 784766979 /nfs/dbraw/zinc/76/69/79/784766979.db2.gz RWWMYPJUUQJFQQ-AVGNSLFASA-N 2 2 322.840 2.067 20 30 DEEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735419 785515231 /nfs/dbraw/zinc/51/52/31/785515231.db2.gz CMYLQYGMZSAUMJ-BBWFWOEESA-N 2 2 316.449 2.209 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409979 788063541 /nfs/dbraw/zinc/06/35/41/788063541.db2.gz IAYWAFLXARGOLR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409979 788063548 /nfs/dbraw/zinc/06/35/48/788063548.db2.gz IAYWAFLXARGOLR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409979 788063558 /nfs/dbraw/zinc/06/35/58/788063558.db2.gz IAYWAFLXARGOLR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409979 788063562 /nfs/dbraw/zinc/06/35/62/788063562.db2.gz IAYWAFLXARGOLR-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132547160 788121943 /nfs/dbraw/zinc/12/19/43/788121943.db2.gz XVWZYTGTXCQSTJ-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132547160 788121949 /nfs/dbraw/zinc/12/19/49/788121949.db2.gz XVWZYTGTXCQSTJ-JKSUJKDBSA-N 2 2 304.438 2.209 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874569 788215574 /nfs/dbraw/zinc/21/55/74/788215574.db2.gz JQRSLNTVFOKQCS-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874569 788215578 /nfs/dbraw/zinc/21/55/78/788215578.db2.gz JQRSLNTVFOKQCS-JKSUJKDBSA-N 2 2 318.465 2.383 20 30 DEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133241847 788329343 /nfs/dbraw/zinc/32/93/43/788329343.db2.gz LLXYAPBQXVQDCC-JKSUJKDBSA-N 2 2 318.465 2.003 20 30 DEEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134376266 788893053 /nfs/dbraw/zinc/89/30/53/788893053.db2.gz KCJCRWKRUXKVPP-OLZOCXBDSA-N 2 2 300.406 2.315 20 30 DEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135057463 789179433 /nfs/dbraw/zinc/17/94/33/789179433.db2.gz VBHARUCRAIVGPJ-GJZGRUSLSA-N 2 2 306.454 2.192 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071607823 789810783 /nfs/dbraw/zinc/81/07/83/789810783.db2.gz SLRBHCSGLQLOAJ-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071607823 789810790 /nfs/dbraw/zinc/81/07/90/789810790.db2.gz SLRBHCSGLQLOAJ-CVEARBPZSA-N 2 2 318.465 2.472 20 30 DEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071776544 789914264 /nfs/dbraw/zinc/91/42/64/789914264.db2.gz VEUKKCVAGAPJJP-HIFRSBDPSA-N 2 2 305.422 2.110 20 30 DEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071776544 789914269 /nfs/dbraw/zinc/91/42/69/789914269.db2.gz VEUKKCVAGAPJJP-HIFRSBDPSA-N 2 2 305.422 2.110 20 30 DEEDLP Cn1c[nH+]cc1-c1cccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c1 ZINC001171258556 791170803 /nfs/dbraw/zinc/17/08/03/791170803.db2.gz DNAASRZZQVXACY-UHFFFAOYSA-N 2 2 319.368 2.223 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086927038 791853744 /nfs/dbraw/zinc/85/37/44/791853744.db2.gz QKFZERGSWZLWEM-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086927038 791853750 /nfs/dbraw/zinc/85/37/50/791853750.db2.gz QKFZERGSWZLWEM-HNNXBMFYSA-N 2 2 316.449 2.231 20 30 DEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111463286 792000661 /nfs/dbraw/zinc/00/06/61/792000661.db2.gz HZKFDXKPOSYIER-ZJPYXAASSA-N 2 2 313.445 2.197 20 30 DEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111463286 792000672 /nfs/dbraw/zinc/00/06/72/792000672.db2.gz HZKFDXKPOSYIER-ZJPYXAASSA-N 2 2 313.445 2.197 20 30 DEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550597 792718119 /nfs/dbraw/zinc/71/81/19/792718119.db2.gz RQJKONDGTNNFOC-FHERZECASA-N 2 2 304.438 2.112 20 30 DEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171524989 793124091 /nfs/dbraw/zinc/12/40/91/793124091.db2.gz CAXBXAMERDVHQF-AWEZNQCLSA-N 2 2 312.417 2.464 20 30 DEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176392010 794411970 /nfs/dbraw/zinc/41/19/70/794411970.db2.gz IPYXCYTZUHDPGG-HNNXBMFYSA-N 2 2 306.454 2.193 20 30 DEEDLP C=CCCC[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176870475 794518251 /nfs/dbraw/zinc/51/82/51/794518251.db2.gz GXOZFNIZTNEBHU-UHFFFAOYSA-N 2 2 321.490 2.168 20 30 DEEDLP C=CCCC[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176870475 794518257 /nfs/dbraw/zinc/51/82/57/794518257.db2.gz GXOZFNIZTNEBHU-UHFFFAOYSA-N 2 2 321.490 2.168 20 30 DEEDLP C#CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627488 794850096 /nfs/dbraw/zinc/85/00/96/794850096.db2.gz GZBUPJBOZBMDCQ-UHFFFAOYSA-N 2 2 324.428 2.380 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492286 796064191 /nfs/dbraw/zinc/06/41/91/796064191.db2.gz 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IFMWFMCXCUMFIL-GDBMZVCRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001663108933 1080703157 /nfs/dbraw/zinc/70/31/57/1080703157.db2.gz IFMWFMCXCUMFIL-GDBMZVCRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001663108933 1080703162 /nfs/dbraw/zinc/70/31/62/1080703162.db2.gz IFMWFMCXCUMFIL-GDBMZVCRSA-N 2 2 304.438 2.135 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001663108933 1080703168 /nfs/dbraw/zinc/70/31/68/1080703168.db2.gz IFMWFMCXCUMFIL-GDBMZVCRSA-N 2 2 304.438 2.135 20 30 DEEDLP CC#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001667189105 1081221679 /nfs/dbraw/zinc/22/16/79/1081221679.db2.gz JACRRHDQGSRJCP-YOEHRIQHSA-N 2 2 313.445 2.470 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001269601716 1081303309 /nfs/dbraw/zinc/30/33/09/1081303309.db2.gz MIDHDLQSJVHVQK-SJORKVTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001269601716 1081303314 /nfs/dbraw/zinc/30/33/14/1081303314.db2.gz MIDHDLQSJVHVQK-SJORKVTESA-N 2 2 316.449 2.305 20 30 DEEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001673113961 1081739811 /nfs/dbraw/zinc/73/98/11/1081739811.db2.gz AICZVSDDVWFPSR-MRXNPFEDSA-N 2 2 318.465 2.290 20 30 DEEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674382628 1081865107 /nfs/dbraw/zinc/86/51/07/1081865107.db2.gz KQNURPZRDSJJTA-HNNXBMFYSA-N 2 2 310.401 2.171 20 30 DEEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271035171 1081884545 /nfs/dbraw/zinc/88/45/45/1081884545.db2.gz IGTRYAKEMISHBH-CQSZACIVSA-N 2 2 300.406 2.351 20 30 DEEDLP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482457764 1081914121 /nfs/dbraw/zinc/91/41/21/1081914121.db2.gz XOHVRVDHBSYIDS-DLBZAZTESA-N 2 2 316.449 2.218 20 30 DEEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001266468215 1082056915 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2.199 20 30 DEEDLP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001277398558 1083948866 /nfs/dbraw/zinc/94/88/66/1083948866.db2.gz PCLJBBFOQUIOJV-UHFFFAOYSA-N 2 2 316.449 2.162 20 30 DEEDLP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001277398558 1083948877 /nfs/dbraw/zinc/94/88/77/1083948877.db2.gz PCLJBBFOQUIOJV-UHFFFAOYSA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001235174313 1084335071 /nfs/dbraw/zinc/33/50/71/1084335071.db2.gz GVLOMVMIEYHWTD-IEBWSBKVSA-N 2 2 317.477 2.233 20 30 DEEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001235174313 1084335080 /nfs/dbraw/zinc/33/50/80/1084335080.db2.gz GVLOMVMIEYHWTD-IEBWSBKVSA-N 2 2 317.477 2.233 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001485889493 1084964404 /nfs/dbraw/zinc/96/44/04/1084964404.db2.gz QQPGLKSIVJITNR-LBPRGKRZSA-N 2 2 312.845 2.116 20 30 DEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C 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CAZGWHGVPANMFV-JKSUJKDBSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961227065 1085645261 /nfs/dbraw/zinc/64/52/61/1085645261.db2.gz CAZGWHGVPANMFV-JKSUJKDBSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442416 1086457109 /nfs/dbraw/zinc/45/71/09/1086457109.db2.gz QMEYSHUNURVCAK-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442416 1086457119 /nfs/dbraw/zinc/45/71/19/1086457119.db2.gz QMEYSHUNURVCAK-SJORKVTESA-N 2 2 316.449 2.162 20 30 DEEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957636659 1088482880 /nfs/dbraw/zinc/48/28/80/1088482880.db2.gz AOZJUTKGOJMRTG-UHFFFAOYSA-N 2 2 316.449 2.151 20 30 DEEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766949 1091922808 /nfs/dbraw/zinc/92/28/08/1091922808.db2.gz OUVMDXDNLIINBC-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766949 1091922817 /nfs/dbraw/zinc/92/28/17/1091922817.db2.gz OUVMDXDNLIINBC-GJZGRUSLSA-N 2 2 316.449 2.329 20 30 DEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798988 1138332277 /nfs/dbraw/zinc/33/22/77/1138332277.db2.gz UHIBBUXVASEUQR-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235798988 1138332280 /nfs/dbraw/zinc/33/22/80/1138332280.db2.gz UHIBBUXVASEUQR-INIZCTEOSA-N 2 2 318.465 2.426 20 30 DEEDLP C=C(C)C[N@H+](C)CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001319885240 1140800337 /nfs/dbraw/zinc/80/03/37/1140800337.db2.gz JWPQFCIFHSPHLN-UHFFFAOYSA-N 2 2 318.465 2.410 20 30 DEEDLP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001319885240 1140800339 /nfs/dbraw/zinc/80/03/39/1140800339.db2.gz JWPQFCIFHSPHLN-UHFFFAOYSA-N 2 2 318.465 2.410 20 30 DEEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001278424558 1140844450 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MILNNVHOYKWZBB-KRWDZBQOSA-N 2 2 316.449 2.453 20 30 DEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)cn1 ZINC001339095157 1142925172 /nfs/dbraw/zinc/92/51/72/1142925172.db2.gz SBIBPDQMYNIXDJ-UHFFFAOYSA-N 2 2 304.313 2.095 20 30 DEEDLP C=C(C)CC[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001278926199 1143840486 /nfs/dbraw/zinc/84/04/86/1143840486.db2.gz CROQYHIHSJEPAP-UHFFFAOYSA-N 2 2 306.454 2.098 20 30 DEEDLP C=C(C)CC[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001278926199 1143840487 /nfs/dbraw/zinc/84/04/87/1143840487.db2.gz CROQYHIHSJEPAP-UHFFFAOYSA-N 2 2 306.454 2.098 20 30 DEEDLP N#CC1CCC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001256966397 1143877014 /nfs/dbraw/zinc/87/70/14/1143877014.db2.gz HZSKJPCNJXHVKD-UHFFFAOYSA-N 2 2 313.449 2.377 20 30 DEEDLP N#CC1CCC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001256966397 1143877017 /nfs/dbraw/zinc/87/70/17/1143877017.db2.gz HZSKJPCNJXHVKD-UHFFFAOYSA-N 2 2 313.449 2.377 20 30 DEEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001279043480 1143952772 /nfs/dbraw/zinc/95/27/72/1143952772.db2.gz BQSNTCHBFGZEBD-SJORKVTESA-N 2 2 318.465 2.456 20 30 DEEDLP C#C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574268 1144320898 /nfs/dbraw/zinc/32/08/98/1144320898.db2.gz OHVMZXBWLPYZII-IEBWSBKVSA-N 2 2 300.446 2.261 20 30 DEEDLP C#C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001262574268 1144320902 /nfs/dbraw/zinc/32/09/02/1144320902.db2.gz OHVMZXBWLPYZII-IEBWSBKVSA-N 2 2 300.446 2.261 20 30 DEEDLP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001280357228 1144836503 /nfs/dbraw/zinc/83/65/03/1144836503.db2.gz VUHKFVIOMBJAQQ-CYBMUJFWSA-N 2 2 312.417 2.414 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001280759817 1144853515 /nfs/dbraw/zinc/85/35/15/1144853515.db2.gz ODNPHIZIUAJCRU-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001280759817 1144853516 /nfs/dbraw/zinc/85/35/16/1144853516.db2.gz ODNPHIZIUAJCRU-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280759817 1144853517 /nfs/dbraw/zinc/85/35/17/1144853517.db2.gz ODNPHIZIUAJCRU-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001280759817 1144853519 /nfs/dbraw/zinc/85/35/19/1144853519.db2.gz ODNPHIZIUAJCRU-CABCVRRESA-N 2 2 304.438 2.135 20 30 DEEDLP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001281949835 1144922997 /nfs/dbraw/zinc/92/29/97/1144922997.db2.gz OZQGYQQYTVYDCL-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001281949835 1144923000 /nfs/dbraw/zinc/92/30/00/1144923000.db2.gz OZQGYQQYTVYDCL-INIZCTEOSA-N 2 2 318.465 2.242 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282667330 1145119818 /nfs/dbraw/zinc/11/98/18/1145119818.db2.gz PPUPPJGRGCZPGM-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001282667330 1145119821 /nfs/dbraw/zinc/11/98/21/1145119821.db2.gz PPUPPJGRGCZPGM-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282667330 1145119825 /nfs/dbraw/zinc/11/98/25/1145119825.db2.gz PPUPPJGRGCZPGM-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001282667330 1145119826 /nfs/dbraw/zinc/11/98/26/1145119826.db2.gz PPUPPJGRGCZPGM-INIZCTEOSA-N 2 2 304.438 2.279 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001284311676 1145834771 /nfs/dbraw/zinc/83/47/71/1145834771.db2.gz YBICFBSFELESBK-OAHLLOKOSA-N 2 2 304.438 2.066 20 30 DEEDLP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001491882186 1146951131 /nfs/dbraw/zinc/95/11/31/1146951131.db2.gz LNESQIVVIBPWHX-HZPDHXFCSA-N 2 2 304.438 2.256 20 30 DEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001366850335 1147593360 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LKBXYMHQPJJAQD-SJORKVTESA-N 2 2 318.465 2.485 20 30 DEEDLP C=CCCC[NH2+]C1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001317218180 1147678765 /nfs/dbraw/zinc/67/87/65/1147678765.db2.gz UYZLYYGCHNEEHD-UHFFFAOYSA-N 2 2 318.465 2.336 20 30 DEEDLP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317482160 1147713751 /nfs/dbraw/zinc/71/37/51/1147713751.db2.gz QCIUKJNICHYFRV-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317482160 1147713753 /nfs/dbraw/zinc/71/37/53/1147713753.db2.gz QCIUKJNICHYFRV-HZPDHXFCSA-N 2 2 318.465 2.238 20 30 DEEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCC1 ZINC001326843317 1148266473 /nfs/dbraw/zinc/26/64/73/1148266473.db2.gz LCYYKGVFJVVHDN-UHFFFAOYSA-N 2 2 317.433 2.227 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000329842322 404468500 /nfs/dbraw/zinc/46/85/00/404468500.db2.gz NULRWIDWUAEEEN-OLZOCXBDSA-N 2 2 301.394 2.213 20 30 DEEDLP Cc1cn2cc(NC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000329842322 404468509 /nfs/dbraw/zinc/46/85/09/404468509.db2.gz NULRWIDWUAEEEN-OLZOCXBDSA-N 2 2 301.394 2.213 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960791 355396282 /nfs/dbraw/zinc/39/62/82/355396282.db2.gz PKKJMDGCVGKUBK-KEYYUXOJSA-N 2 2 317.437 2.032 20 30 DEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960791 355396286 /nfs/dbraw/zinc/39/62/86/355396286.db2.gz PKKJMDGCVGKUBK-KEYYUXOJSA-N 2 2 317.437 2.032 20 30 DEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000088717152 355518279 /nfs/dbraw/zinc/51/82/79/355518279.db2.gz MNPHIAXVVSXNTN-LPHOPBHVSA-N 2 2 312.461 2.084 20 30 DEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000088717152 355518283 /nfs/dbraw/zinc/51/82/83/355518283.db2.gz MNPHIAXVVSXNTN-LPHOPBHVSA-N 2 2 312.461 2.084 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000598594160 359254722 /nfs/dbraw/zinc/25/47/22/359254722.db2.gz YPGFPYGHVNUVEE-CABCVRRESA-N 2 2 302.422 2.116 20 30 DEEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000598594160 359254728 /nfs/dbraw/zinc/25/47/28/359254728.db2.gz YPGFPYGHVNUVEE-CABCVRRESA-N 2 2 302.422 2.116 20 30 DEEDLP Cc1[nH]c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH+]c1C ZINC000600160342 359669171 /nfs/dbraw/zinc/66/91/71/359669171.db2.gz DHROMFZVSMNBHE-UHFFFAOYSA-N 2 2 311.433 2.462 20 30 DEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000609385907 361308298 /nfs/dbraw/zinc/30/82/98/361308298.db2.gz GWMLOOALFNZLIL-QGZVFWFLSA-N 2 2 314.433 2.349 20 30 DEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000609385907 361308303 /nfs/dbraw/zinc/30/83/03/361308303.db2.gz GWMLOOALFNZLIL-QGZVFWFLSA-N 2 2 314.433 2.349 20 30 DEEDLP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271833449 209252263 /nfs/dbraw/zinc/25/22/63/209252263.db2.gz FLSZUADOGXDWNP-INIZCTEOSA-N 2 2 323.444 2.397 20 30 DEEDLP COC[C@H](C)O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000178309306 285354837 /nfs/dbraw/zinc/35/48/37/285354837.db2.gz WICJWURRLWAKGX-AWEZNQCLSA-N 2 2 305.422 2.344 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001369428853 1148977071 /nfs/dbraw/zinc/97/70/71/1148977071.db2.gz OZWWPRGKVSIZGF-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001369428853 1148977086 /nfs/dbraw/zinc/97/70/86/1148977086.db2.gz OZWWPRGKVSIZGF-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000178442663 402499447 /nfs/dbraw/zinc/49/94/47/402499447.db2.gz XIYGQUQIEGVTAR-HNNXBMFYSA-N 2 2 316.424 2.304 20 30 DEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000178442663 402499449 /nfs/dbraw/zinc/49/94/49/402499449.db2.gz XIYGQUQIEGVTAR-HNNXBMFYSA-N 2 2 316.424 2.304 20 30 DEEDLP Cc1ccc(NC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC000170912849 402541335 /nfs/dbraw/zinc/54/13/35/402541335.db2.gz FDZBJRMEBZLWCN-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)cc1C ZINC000170912849 402541337 /nfs/dbraw/zinc/54/13/37/402541337.db2.gz FDZBJRMEBZLWCN-UHFFFAOYSA-N 2 2 304.438 2.141 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000193175652 402767848 /nfs/dbraw/zinc/76/78/48/402767848.db2.gz NUMREZATYZGOTJ-MRXNPFEDSA-N 2 2 316.449 2.017 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000193175652 402767852 /nfs/dbraw/zinc/76/78/52/402767852.db2.gz NUMREZATYZGOTJ-MRXNPFEDSA-N 2 2 316.449 2.017 20 30 DEEDLP C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000193175636 402768001 /nfs/dbraw/zinc/76/80/01/402768001.db2.gz NUMREZATYZGOTJ-INIZCTEOSA-N 2 2 316.449 2.017 20 30 DEEDLP C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000193175636 402768004 /nfs/dbraw/zinc/76/80/04/402768004.db2.gz NUMREZATYZGOTJ-INIZCTEOSA-N 2 2 316.449 2.017 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965707 403004116 /nfs/dbraw/zinc/00/41/16/403004116.db2.gz YHSBJXLYRANCAA-UKRRQHHQSA-N 2 2 323.400 2.488 20 30 DEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965707 403004118 /nfs/dbraw/zinc/00/41/18/403004118.db2.gz YHSBJXLYRANCAA-UKRRQHHQSA-N 2 2 323.400 2.488 20 30 DEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1F ZINC000340964045 403716121 /nfs/dbraw/zinc/71/61/21/403716121.db2.gz HITFZQDPJDVITA-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1F ZINC000340964045 403716126 /nfs/dbraw/zinc/71/61/26/403716126.db2.gz HITFZQDPJDVITA-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@H+](C)Cc1cccc(C#N)c1F)C1CC[NH+](C)CC1 ZINC000340964045 403716129 /nfs/dbraw/zinc/71/61/29/403716129.db2.gz HITFZQDPJDVITA-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP CN(CC[N@@H+](C)Cc1cccc(C#N)c1F)C1CC[NH+](C)CC1 ZINC000340964045 403716132 /nfs/dbraw/zinc/71/61/32/403716132.db2.gz HITFZQDPJDVITA-UHFFFAOYSA-N 2 2 318.440 2.155 20 30 DEEDLP C#Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)cc1 ZINC000289322068 403910021 /nfs/dbraw/zinc/91/00/21/403910021.db2.gz TXEUMXLNYIOXKF-UHFFFAOYSA-N 2 2 306.413 2.427 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000344151984 403942051 /nfs/dbraw/zinc/94/20/51/403942051.db2.gz XTJZCMFELUDIBW-IBGZPJMESA-N 2 2 324.472 2.349 20 30 DEEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000344151984 403942055 /nfs/dbraw/zinc/94/20/55/403942055.db2.gz XTJZCMFELUDIBW-IBGZPJMESA-N 2 2 324.472 2.349 20 30 DEEDLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202033 404496879 /nfs/dbraw/zinc/49/68/79/404496879.db2.gz GBCCRCMZQNCKBW-ZWKOTPCHSA-N 2 2 301.434 2.446 20 30 DEEDLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C#N)cc1 ZINC000297202033 404496886 /nfs/dbraw/zinc/49/68/86/404496886.db2.gz GBCCRCMZQNCKBW-ZWKOTPCHSA-N 2 2 301.434 2.446 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350731483 404455285 /nfs/dbraw/zinc/45/52/85/404455285.db2.gz APEYJRWJSPXYFC-AEFFLSMTSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350731483 404455293 /nfs/dbraw/zinc/45/52/93/404455293.db2.gz APEYJRWJSPXYFC-AEFFLSMTSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350731483 404455298 /nfs/dbraw/zinc/45/52/98/404455298.db2.gz APEYJRWJSPXYFC-AEFFLSMTSA-N 2 2 319.493 2.239 20 30 DEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350731483 404455302 /nfs/dbraw/zinc/45/53/02/404455302.db2.gz APEYJRWJSPXYFC-AEFFLSMTSA-N 2 2 319.493 2.239 20 30 DEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429887 404829201 /nfs/dbraw/zinc/82/92/01/404829201.db2.gz VDHATYIIXGECBB-IEBWSBKVSA-N 2 2 313.445 2.492 20 30 DEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429887 404829203 /nfs/dbraw/zinc/82/92/03/404829203.db2.gz VDHATYIIXGECBB-IEBWSBKVSA-N 2 2 313.445 2.492 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420302427 405311326 /nfs/dbraw/zinc/31/13/26/405311326.db2.gz GBKWZFCFYQPKOT-BHYGNILZSA-N 2 2 301.434 2.143 20 30 DEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420302427 405311328 /nfs/dbraw/zinc/31/13/28/405311328.db2.gz GBKWZFCFYQPKOT-BHYGNILZSA-N 2 2 301.434 2.143 20 30 DEEDLP C=CC(C)(C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000454462491 405348904 /nfs/dbraw/zinc/34/89/04/405348904.db2.gz TUJUZZVLGJYYMF-UHFFFAOYSA-N 2 2 322.497 2.056 20 30 DEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427124676 405390087 /nfs/dbraw/zinc/39/00/87/405390087.db2.gz UQYOUHXPWZIEER-HZPDHXFCSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427124676 405390090 /nfs/dbraw/zinc/39/00/90/405390090.db2.gz UQYOUHXPWZIEER-HZPDHXFCSA-N 2 2 302.418 2.444 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430931935 405532661 /nfs/dbraw/zinc/53/26/61/405532661.db2.gz XWVANGFYFAGRRB-LSDHHAIUSA-N 2 2 321.490 2.193 20 30 DEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430931935 405532663 /nfs/dbraw/zinc/53/26/63/405532663.db2.gz XWVANGFYFAGRRB-LSDHHAIUSA-N 2 2 321.490 2.193 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430956690 405544930 /nfs/dbraw/zinc/54/49/30/405544930.db2.gz PSOUOWSXHJKFII-CYBMUJFWSA-N 2 2 305.447 2.184 20 30 DEEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430956690 405544937 /nfs/dbraw/zinc/54/49/37/405544937.db2.gz PSOUOWSXHJKFII-CYBMUJFWSA-N 2 2 305.447 2.184 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000534580978 406191112 /nfs/dbraw/zinc/19/11/12/406191112.db2.gz XOGYFJMMRZKFSG-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000534580978 406191119 /nfs/dbraw/zinc/19/11/19/406191119.db2.gz XOGYFJMMRZKFSG-OAHLLOKOSA-N 2 2 323.400 2.110 20 30 DEEDLP C(#CC[N@@H+]1CCC[C@H]1c1cn[nH]c1)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639775938 406246565 /nfs/dbraw/zinc/24/65/65/406246565.db2.gz HVHRTNVWVXYNNT-HDICACEKSA-N 2 2 324.432 2.110 20 30 DEEDLP C(#CC[N@H+]1CCC[C@H]1c1cn[nH]c1)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639775938 406246574 /nfs/dbraw/zinc/24/65/74/406246574.db2.gz HVHRTNVWVXYNNT-HDICACEKSA-N 2 2 324.432 2.110 20 30 DEEDLP C(#CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639775938 406246581 /nfs/dbraw/zinc/24/65/81/406246581.db2.gz HVHRTNVWVXYNNT-HDICACEKSA-N 2 2 324.432 2.110 20 30 DEEDLP C(#CC[N@H+]1CCC[C@@H]1c1cn[nH]c1)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639775938 406246586 /nfs/dbraw/zinc/24/65/86/406246586.db2.gz HVHRTNVWVXYNNT-HDICACEKSA-N 2 2 324.432 2.110 20 30 DEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000490575300 406471444 /nfs/dbraw/zinc/47/14/44/406471444.db2.gz QNNFRXIYNLRUIL-UHFFFAOYSA-N 2 2 308.385 2.360 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644635690 407157646 /nfs/dbraw/zinc/15/76/46/407157646.db2.gz PRDRHQMXQUOVJL-INIZCTEOSA-N 2 2 307.482 2.216 20 30 DEEDLP C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644635690 407157647 /nfs/dbraw/zinc/15/76/47/407157647.db2.gz PRDRHQMXQUOVJL-INIZCTEOSA-N 2 2 307.482 2.216 20 30 DEEDLP C[NH+](C)CCC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000662325842 425624585 /nfs/dbraw/zinc/62/45/85/425624585.db2.gz QSIOBTGTBXIKSC-SFHVURJKSA-N 2 2 304.409 2.220 20 30 DEEDLP C[NH+](C)CCC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000662325842 425624586 /nfs/dbraw/zinc/62/45/86/425624586.db2.gz QSIOBTGTBXIKSC-SFHVURJKSA-N 2 2 304.409 2.220 20 30 DEEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)C1=O ZINC000366898487 335323338 /nfs/dbraw/zinc/32/33/38/335323338.db2.gz WKFYQQBYEGTYFX-JKSUJKDBSA-N 2 2 314.433 2.053 20 30 DEEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)C1=O ZINC000366898487 335323340 /nfs/dbraw/zinc/32/33/40/335323340.db2.gz WKFYQQBYEGTYFX-JKSUJKDBSA-N 2 2 314.433 2.053 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001441034034 1181831902 /nfs/dbraw/zinc/83/19/02/1181831902.db2.gz KBCUHHBLNZLRJY-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001441034034 1181831903 /nfs/dbraw/zinc/83/19/03/1181831903.db2.gz KBCUHHBLNZLRJY-ZIAGYGMSSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001441913376 1182247090 /nfs/dbraw/zinc/24/70/90/1182247090.db2.gz XYHBKDWRDNSOSX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001441913376 1182247093 /nfs/dbraw/zinc/24/70/93/1182247093.db2.gz XYHBKDWRDNSOSX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001441913376 1182247097 /nfs/dbraw/zinc/24/70/97/1182247097.db2.gz XYHBKDWRDNSOSX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001441913376 1182247100 /nfs/dbraw/zinc/24/71/00/1182247100.db2.gz XYHBKDWRDNSOSX-KGLIPLIRSA-N 2 2 301.862 2.050 20 30 DEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001445817000 1184069550 /nfs/dbraw/zinc/06/95/50/1184069550.db2.gz MMUDQQWXPFLCGG-ZDUSSCGKSA-N 2 2 303.878 2.153 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001445817000 1184069557 /nfs/dbraw/zinc/06/95/57/1184069557.db2.gz MMUDQQWXPFLCGG-ZDUSSCGKSA-N 2 2 303.878 2.153 20 30 DEEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001445817000 1184069561 /nfs/dbraw/zinc/06/95/61/1184069561.db2.gz MMUDQQWXPFLCGG-ZDUSSCGKSA-N 2 2 303.878 2.153 20 30 DEEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000261635431 534694910 /nfs/dbraw/zinc/69/49/10/534694910.db2.gz JZVQUGISVMTRQC-MRXNPFEDSA-N 2 2 310.401 2.361 20 30 DEEDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000331813316 534815015 /nfs/dbraw/zinc/81/50/15/534815015.db2.gz UBXIQBXMVGQYOY-IUODEOHRSA-N 2 2 302.403 2.363 20 30 DEEDLP C[NH+]=C(NCC[N@H+](C)Cc1ccc(F)cc1)NCc1ccco1 ZINC000267253801 526354499 /nfs/dbraw/zinc/35/44/99/526354499.db2.gz BWMCVOVZZREOSU-UHFFFAOYSA-N 2 2 318.396 2.216 20 30 DEEDLP C[NH+]=C(NCC[N@@H+](C)Cc1ccc(F)cc1)NCc1ccco1 ZINC000267253801 526354505 /nfs/dbraw/zinc/35/45/05/526354505.db2.gz BWMCVOVZZREOSU-UHFFFAOYSA-N 2 2 318.396 2.216 20 30 DEEDLP C#CC[N@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000294865295 526827188 /nfs/dbraw/zinc/82/71/88/526827188.db2.gz CHESGLWPCDKVBA-MRXNPFEDSA-N 2 2 300.381 2.183 20 30 DEEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000294865295 526827195 /nfs/dbraw/zinc/82/71/95/526827195.db2.gz CHESGLWPCDKVBA-MRXNPFEDSA-N 2 2 300.381 2.183 20 30 DEEDLP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CC1 ZINC000376067671 527445614 /nfs/dbraw/zinc/44/56/14/527445614.db2.gz NLCTYKWWMLKLGL-HQSKLWIPSA-N 2 2 319.493 2.404 20 30 DEEDLP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CC1 ZINC000376067671 527445618 /nfs/dbraw/zinc/44/56/18/527445618.db2.gz NLCTYKWWMLKLGL-HQSKLWIPSA-N 2 2 319.493 2.404 20 30 DEEDLP CC(C)c1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)no1 ZINC000266997307 528285195 /nfs/dbraw/zinc/28/51/95/528285195.db2.gz FHGDQKBAZXLTBU-UHFFFAOYSA-N 2 2 317.393 2.092 20 30 DEEDLP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001327883732 1148667738 /nfs/dbraw/zinc/66/77/38/1148667738.db2.gz WVMOHQNENAHDRG-ZBFHGGJFSA-N 2 2 318.465 2.329 20 30 DEEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC001026318132 625294183 /nfs/dbraw/zinc/29/41/83/625294183.db2.gz UBDBEWNCYSRJDU-GVDBMIGSSA-N 2 2 311.429 2.080 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609585 625354220 /nfs/dbraw/zinc/35/42/20/625354220.db2.gz BTSPWDWXUDDGBV-HNNXBMFYSA-N 2 2 313.873 2.004 20 30 DEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437112 624046050 /nfs/dbraw/zinc/04/60/50/624046050.db2.gz OTISSVTYBVIIPA-GOEBONIOSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437112 624046054 /nfs/dbraw/zinc/04/60/54/624046054.db2.gz OTISSVTYBVIIPA-GOEBONIOSA-N 2 2 317.433 2.178 20 30 DEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971872327 624675144 /nfs/dbraw/zinc/67/51/44/624675144.db2.gz OWLJNXGZDCPQTE-CQSZACIVSA-N 2 2 318.808 2.233 20 30 DEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971872327 624675148 /nfs/dbraw/zinc/67/51/48/624675148.db2.gz OWLJNXGZDCPQTE-CQSZACIVSA-N 2 2 318.808 2.233 20 30 DEEDLP C=CCCCN(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893023290 625058300 /nfs/dbraw/zinc/05/83/00/625058300.db2.gz OXHHUVJOZQGPTE-MRXNPFEDSA-N 2 2 322.497 2.153 20 30 DEEDLP C=CCCCN(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893023290 625058306 /nfs/dbraw/zinc/05/83/06/625058306.db2.gz OXHHUVJOZQGPTE-MRXNPFEDSA-N 2 2 322.497 2.153 20 30 DEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947539649 625152307 /nfs/dbraw/zinc/15/23/07/625152307.db2.gz FGBFPQLUZNVFSD-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947539649 625152310 /nfs/dbraw/zinc/15/23/10/625152310.db2.gz FGBFPQLUZNVFSD-GJZGRUSLSA-N 2 2 312.417 2.493 20 30 DEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC000996363607 633241758 /nfs/dbraw/zinc/24/17/58/633241758.db2.gz KCBDWVHDFKXLHF-KGLIPLIRSA-N 2 2 324.856 2.413 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975033049 633401142 /nfs/dbraw/zinc/40/11/42/633401142.db2.gz WZRIJFKQZVECST-ZFWWWQNUSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975033049 633401144 /nfs/dbraw/zinc/40/11/44/633401144.db2.gz WZRIJFKQZVECST-ZFWWWQNUSA-N 2 2 316.449 2.232 20 30 DEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996993289 633554308 /nfs/dbraw/zinc/55/43/08/633554308.db2.gz DJBXVGHSEGURLP-ZDUSSCGKSA-N 2 2 322.840 2.163 20 30 DEEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000997587930 633887592 /nfs/dbraw/zinc/88/75/92/633887592.db2.gz WLPWQYSBXGAHDC-HNNXBMFYSA-N 2 2 324.428 2.106 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982142481 635886577 /nfs/dbraw/zinc/88/65/77/635886577.db2.gz DIGHMNRGTUPVCY-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982142481 635886580 /nfs/dbraw/zinc/88/65/80/635886580.db2.gz DIGHMNRGTUPVCY-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000982142481 635886582 /nfs/dbraw/zinc/88/65/82/635886582.db2.gz DIGHMNRGTUPVCY-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000982142481 635886583 /nfs/dbraw/zinc/88/65/83/635886583.db2.gz DIGHMNRGTUPVCY-OAHLLOKOSA-N 2 2 304.438 2.089 20 30 DEEDLP C=CCC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001003128793 635913766 /nfs/dbraw/zinc/91/37/66/635913766.db2.gz SBUTUXRIOSKVNU-UHFFFAOYSA-N 2 2 304.438 2.083 20 30 DEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571100 635966895 /nfs/dbraw/zinc/96/68/95/635966895.db2.gz RKUIYSYEPKTKDE-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571100 635966896 /nfs/dbraw/zinc/96/68/96/635966896.db2.gz RKUIYSYEPKTKDE-IYBDPMFKSA-N 2 2 316.449 2.089 20 30 DEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612016 636501242 /nfs/dbraw/zinc/50/12/42/636501242.db2.gz XYXSUOHLUHGVAL-QGZVFWFLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612016 636501247 /nfs/dbraw/zinc/50/12/47/636501247.db2.gz XYXSUOHLUHGVAL-QGZVFWFLSA-N 2 2 316.449 2.150 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005587089 636790965 /nfs/dbraw/zinc/79/09/65/636790965.db2.gz CMBLYKCDLNLDQA-HNNXBMFYSA-N 2 2 313.873 2.146 20 30 DEEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005587089 636790971 /nfs/dbraw/zinc/79/09/71/636790971.db2.gz CMBLYKCDLNLDQA-HNNXBMFYSA-N 2 2 313.873 2.146 20 30 DEEDLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC(C)(C)C#N)nc[nH+]1 ZINC000925372599 637029945 /nfs/dbraw/zinc/02/99/45/637029945.db2.gz XJQSOALNZCQKOO-ZIAGYGMSSA-N 2 2 316.453 2.405 20 30 DEEDLP C#CCOc1ccccc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000073449838 637459560 /nfs/dbraw/zinc/45/95/60/637459560.db2.gz BFQNVXXOKDRGHG-IAGOWNOFSA-N 2 2 316.445 2.288 20 30 DEEDLP C=CCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000740872340 637913835 /nfs/dbraw/zinc/91/38/35/637913835.db2.gz PJLBSBRITNBBHG-UHFFFAOYSA-N 2 2 316.449 2.269 20 30 DEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC000986541494 639924393 /nfs/dbraw/zinc/92/43/93/639924393.db2.gz AQHJIQNBAQARMX-CHWSQXEVSA-N 2 2 318.808 2.279 20 30 DEEDLP N#Cc1sccc1N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903768865 643454438 /nfs/dbraw/zinc/45/44/38/643454438.db2.gz SPUJMJZCLGBSKZ-CQSZACIVSA-N 2 2 304.463 2.131 20 30 DEEDLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903988019 643541418 /nfs/dbraw/zinc/54/14/18/643541418.db2.gz MPVMQRHXCITVBK-HOTGVXAUSA-N 2 2 301.438 2.203 20 30 DEEDLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903988019 643541422 /nfs/dbraw/zinc/54/14/22/643541422.db2.gz MPVMQRHXCITVBK-HOTGVXAUSA-N 2 2 301.438 2.203 20 30 DEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917415438 648000145 /nfs/dbraw/zinc/00/01/45/648000145.db2.gz TZXCYGAWCCEZJO-QGZVFWFLSA-N 2 2 304.434 2.140 20 30 DEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917415438 648000148 /nfs/dbraw/zinc/00/01/48/648000148.db2.gz TZXCYGAWCCEZJO-QGZVFWFLSA-N 2 2 304.434 2.140 20 30 DEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940885346 648961971 /nfs/dbraw/zinc/96/19/71/648961971.db2.gz AENNVYYZIPWZQQ-INIZCTEOSA-N 2 2 324.428 2.188 20 30 DEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940885346 648961972 /nfs/dbraw/zinc/96/19/72/648961972.db2.gz AENNVYYZIPWZQQ-INIZCTEOSA-N 2 2 324.428 2.188 20 30 DEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183515 649177299 /nfs/dbraw/zinc/17/72/99/649177299.db2.gz IJZONNLUZCLPTO-UKRRQHHQSA-N 2 2 310.401 2.026 20 30 DEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183515 649177301 /nfs/dbraw/zinc/17/73/01/649177301.db2.gz IJZONNLUZCLPTO-UKRRQHHQSA-N 2 2 310.401 2.026 20 30 DEEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016949182 687741781 /nfs/dbraw/zinc/74/17/81/687741781.db2.gz CBBZOXSZKYHDMQ-MRXNPFEDSA-N 2 2 316.449 2.198 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034251694 689781810 /nfs/dbraw/zinc/78/18/10/689781810.db2.gz AATMIMAHESDFNQ-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034251694 689781811 /nfs/dbraw/zinc/78/18/11/689781811.db2.gz AATMIMAHESDFNQ-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034251694 689781813 /nfs/dbraw/zinc/78/18/13/689781813.db2.gz AATMIMAHESDFNQ-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034251694 689781814 /nfs/dbraw/zinc/78/18/14/689781814.db2.gz AATMIMAHESDFNQ-RRFJBIMHSA-N 2 2 302.422 2.060 20 30 DEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036772090 690467813 /nfs/dbraw/zinc/46/78/13/690467813.db2.gz RNUPZBPMPPNGGQ-LSDHHAIUSA-N 2 2 310.401 2.057 20 30 DEEDLP 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