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@H]1SCC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000161160341 534133716 /nfs/dbraw/zinc/13/37/16/534133716.db2.gz MUSPACNTITXQCK-ZIAGYGMSSA-N 2 1 256.459 2.688 20 70 CFIDMP C[C@H]1SCC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000161160341 534133719 /nfs/dbraw/zinc/13/37/19/534133719.db2.gz MUSPACNTITXQCK-ZIAGYGMSSA-N 2 1 256.459 2.688 20 70 CFIDMP CC(C)[N@H+](C)CCNc1cc[nH+]cc1Br ZINC000159841247 519627323 /nfs/dbraw/zinc/62/73/23/519627323.db2.gz KYBVNABPQPIJAL-UHFFFAOYSA-N 2 1 272.190 2.596 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160078726 524908243 /nfs/dbraw/zinc/90/82/43/524908243.db2.gz VEUBQSJRVYEBQD-TYNCELHUSA-N 2 1 298.377 2.662 20 70 CFIDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)nc2)CC1 ZINC000160030959 545588113 /nfs/dbraw/zinc/58/81/13/545588113.db2.gz KDBCDAISMJVCJO-UHFFFAOYSA-N 2 1 291.439 2.833 20 70 CFIDMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH3+] ZINC000218291254 348166633 /nfs/dbraw/zinc/16/66/33/348166633.db2.gz JKOBLQCUFCOUKO-LLVKDONJSA-N 2 1 261.196 2.863 20 70 CFIDMP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000161275530 378836306 /nfs/dbraw/zinc/83/63/06/378836306.db2.gz QYYNBVMIZLRIBY-HNNXBMFYSA-N 2 1 262.397 2.611 20 70 CFIDMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000161275530 378836309 /nfs/dbraw/zinc/83/63/09/378836309.db2.gz QYYNBVMIZLRIBY-HNNXBMFYSA-N 2 1 262.397 2.611 20 70 CFIDMP COc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000161275530 378836311 /nfs/dbraw/zinc/83/63/11/378836311.db2.gz QYYNBVMIZLRIBY-HNNXBMFYSA-N 2 1 262.397 2.611 20 70 CFIDMP COc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000161275530 378836314 /nfs/dbraw/zinc/83/63/14/378836314.db2.gz QYYNBVMIZLRIBY-HNNXBMFYSA-N 2 1 262.397 2.611 20 70 CFIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104395 378821721 /nfs/dbraw/zinc/82/17/21/378821721.db2.gz BSXLURPWKBSSBN-DFBGVHRSSA-N 2 1 265.376 2.744 20 70 CFIDMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218125374 397620746 /nfs/dbraw/zinc/62/07/46/397620746.db2.gz NMBKRJLHZOPLHP-UAGQMJEPSA-N 2 1 288.435 2.843 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000160477142 288102797 /nfs/dbraw/zinc/10/27/97/288102797.db2.gz WQFFVTFWECRWJF-RKVPGOIHSA-N 2 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477142 288102799 /nfs/dbraw/zinc/10/27/99/288102799.db2.gz WQFFVTFWECRWJF-RKVPGOIHSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477142 288102800 /nfs/dbraw/zinc/10/28/00/288102800.db2.gz WQFFVTFWECRWJF-RKVPGOIHSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000159450721 322322808 /nfs/dbraw/zinc/32/28/08/322322808.db2.gz CAOVVNCVIPSVTL-SWLSCSKDSA-N 2 1 255.365 2.546 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160402330 322337523 /nfs/dbraw/zinc/33/75/23/322337523.db2.gz ZAYRNOFDPJYZBX-AHCXZYCDSA-N 2 1 295.515 2.815 20 70 CFIDMP CC(C)[N@@H+](C)CCNc1cc[nH+]cc1Br ZINC000159841247 519627327 /nfs/dbraw/zinc/62/73/27/519627327.db2.gz KYBVNABPQPIJAL-UHFFFAOYSA-N 2 1 272.190 2.596 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160078349 524915718 /nfs/dbraw/zinc/91/57/18/524915718.db2.gz VEUBQSJRVYEBQD-JMSVASOKSA-N 2 1 298.377 2.662 20 70 CFIDMP C[C@@H]1C[C@@H](NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@H+]1C ZINC000160392177 525265937 /nfs/dbraw/zinc/26/59/37/525265937.db2.gz DFZNPADUUZNZCQ-PVAVHDDUSA-N 2 1 281.488 2.569 20 70 CFIDMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000160425331 525493490 /nfs/dbraw/zinc/49/34/90/525493490.db2.gz CYQPIGQAAMNVPD-RHSMWYFYSA-N 2 1 282.472 2.902 20 70 CFIDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160753835 378796302 /nfs/dbraw/zinc/79/63/02/378796302.db2.gz RZXYEUVWPHGBNF-SJLPKXTDSA-N 2 1 290.451 2.883 20 70 CFIDMP C[C@H](O)C[N@@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000160927935 378810064 /nfs/dbraw/zinc/81/00/64/378810064.db2.gz OUMIKXSFZPNESJ-INIZCTEOSA-N 2 1 282.472 2.878 20 70 CFIDMP COc1ccccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217661705 382787617 /nfs/dbraw/zinc/78/76/17/382787617.db2.gz WMJRUGYBOMIRJU-BPUTZDHNSA-N 2 1 274.408 2.973 20 70 CFIDMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000160459751 276583547 /nfs/dbraw/zinc/58/35/47/276583547.db2.gz UTMUXWSJKAETQO-KRWDZBQOSA-N 2 1 290.455 2.868 20 70 CFIDMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CCCC1 ZINC000160687360 282045088 /nfs/dbraw/zinc/04/50/88/282045088.db2.gz SEODJEKYBDVQNG-KFWWJZLASA-N 2 1 280.456 2.654 20 70 CFIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000161480954 322352439 /nfs/dbraw/zinc/35/24/39/322352439.db2.gz PMVSVXGKFYYRDX-NSHDSACASA-N 2 1 264.438 2.982 20 70 CFIDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000160382998 521994480 /nfs/dbraw/zinc/99/44/80/521994480.db2.gz RZLHPCITRVAHTN-UHFFFAOYSA-N 2 1 277.799 2.930 20 70 CFIDMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)C2(CCCCC2)C1 ZINC000161397798 523897518 /nfs/dbraw/zinc/89/75/18/523897518.db2.gz AEAHFIGJGJTCGQ-UHFFFAOYSA-N 2 1 293.499 2.813 20 70 CFIDMP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)ccc2n1 ZINC000218371297 526230795 /nfs/dbraw/zinc/23/07/95/526230795.db2.gz SYNGHXYJRWNRCP-BLLLJJGKSA-N 2 1 269.392 2.712 20 70 CFIDMP c1cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109281 526450300 /nfs/dbraw/zinc/45/03/00/526450300.db2.gz MYOQIJPKIRCXTL-CVEARBPZSA-N 2 1 269.392 2.884 20 70 CFIDMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109281 526450302 /nfs/dbraw/zinc/45/03/02/526450302.db2.gz MYOQIJPKIRCXTL-CVEARBPZSA-N 2 1 269.392 2.884 20 70 CFIDMP C[C@H](CC[NH+](C)C)Nc1cc[nH+]cc1Br ZINC000159833306 378734004 /nfs/dbraw/zinc/73/40/04/378734004.db2.gz UXWKALOSGQTZFE-SECBINFHSA-N 2 1 272.190 2.596 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773543 378798362 /nfs/dbraw/zinc/79/83/62/378798362.db2.gz LDQRCWZABSOUOI-LMSBXDPUSA-N 2 1 290.451 2.819 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104287 378821003 /nfs/dbraw/zinc/82/10/03/378821003.db2.gz BSXLURPWKBSSBN-GLQYFDAESA-N 2 1 265.376 2.744 20 70 CFIDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217759792 393757827 /nfs/dbraw/zinc/75/78/27/393757827.db2.gz LOMYESCBBCKUOP-KBPBESRZSA-N 2 1 264.413 2.643 20 70 CFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217759792 393757830 /nfs/dbraw/zinc/75/78/30/393757830.db2.gz LOMYESCBBCKUOP-KBPBESRZSA-N 2 1 264.413 2.643 20 70 CFIDMP CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000159406022 394365778 /nfs/dbraw/zinc/36/57/78/394365778.db2.gz IWIPOTOUORYIKL-LJISPDSOSA-N 2 1 270.486 2.981 20 70 CFIDMP CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000159406022 394365780 /nfs/dbraw/zinc/36/57/80/394365780.db2.gz IWIPOTOUORYIKL-LJISPDSOSA-N 2 1 270.486 2.981 20 70 CFIDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000160276747 394366002 /nfs/dbraw/zinc/36/60/02/394366002.db2.gz JEMASTHOJNSVFI-XHSDSOJGSA-N 2 1 268.445 2.656 20 70 CFIDMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000160853964 279353177 /nfs/dbraw/zinc/35/31/77/279353177.db2.gz HIRSDHJIBOWGSQ-NUJGCVRESA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000160853964 279353182 /nfs/dbraw/zinc/35/31/82/279353182.db2.gz HIRSDHJIBOWGSQ-NUJGCVRESA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000160853964 279353184 /nfs/dbraw/zinc/35/31/84/279353184.db2.gz HIRSDHJIBOWGSQ-NUJGCVRESA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000160853964 279353187 /nfs/dbraw/zinc/35/31/87/279353187.db2.gz HIRSDHJIBOWGSQ-NUJGCVRESA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000160853964 279353190 /nfs/dbraw/zinc/35/31/90/279353190.db2.gz HIRSDHJIBOWGSQ-NUJGCVRESA-N 2 1 289.467 2.579 20 70 CFIDMP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161123117 519981612 /nfs/dbraw/zinc/98/16/12/519981612.db2.gz KMJQNSCDHJOALR-BPUTZDHNSA-N 2 1 278.444 2.987 20 70 CFIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1(C)CC1 ZINC000160488764 525537806 /nfs/dbraw/zinc/53/78/06/525537806.db2.gz KJQBQFXFTOJZFN-OAHLLOKOSA-N 2 1 288.435 2.797 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000159904077 378737229 /nfs/dbraw/zinc/73/72/29/378737229.db2.gz BWALXUPBBQXJRV-BFYDXBDKSA-N 2 1 287.451 2.510 20 70 CFIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160114637 378750614 /nfs/dbraw/zinc/75/06/14/378750614.db2.gz TVHJJQNZKVVJAB-INIZCTEOSA-N 2 1 289.467 2.975 20 70 CFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160114637 378750622 /nfs/dbraw/zinc/75/06/22/378750622.db2.gz TVHJJQNZKVVJAB-INIZCTEOSA-N 2 1 289.467 2.975 20 70 CFIDMP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160441085 378772922 /nfs/dbraw/zinc/77/29/22/378772922.db2.gz YWVPWLISUCRKSA-HNNXBMFYSA-N 2 1 276.424 2.653 20 70 CFIDMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000160685983 378791496 /nfs/dbraw/zinc/79/14/96/378791496.db2.gz DIZIAYMVQKQBDX-GJZGRUSLSA-N 2 1 280.456 2.798 20 70 CFIDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852928 /nfs/dbraw/zinc/85/29/28/378852928.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 2 1 258.409 2.960 20 70 CFIDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852933 /nfs/dbraw/zinc/85/29/33/378852933.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 2 1 258.409 2.960 20 70 CFIDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852945 /nfs/dbraw/zinc/85/29/45/378852945.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 2 1 258.409 2.960 20 70 CFIDMP c1cnc2c(c1)cccc2CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217632183 382787621 /nfs/dbraw/zinc/78/76/21/382787621.db2.gz WEROAEBXSYCOFV-SJORKVTESA-N 2 1 281.403 2.951 20 70 CFIDMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217632183 382787623 /nfs/dbraw/zinc/78/76/23/382787623.db2.gz WEROAEBXSYCOFV-SJORKVTESA-N 2 1 281.403 2.951 20 70 CFIDMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000160685847 286384584 /nfs/dbraw/zinc/38/45/84/286384584.db2.gz DIZIAYMVQKQBDX-LSDHHAIUSA-N 2 1 280.456 2.798 20 70 CFIDMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000160686254 286490635 /nfs/dbraw/zinc/49/06/35/286490635.db2.gz DIZIAYMVQKQBDX-CABCVRRESA-N 2 1 280.456 2.798 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160868112 322344219 /nfs/dbraw/zinc/34/42/19/322344219.db2.gz MTKASRLHHGLLJP-VKJFTORMSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160868112 322344223 /nfs/dbraw/zinc/34/42/23/322344223.db2.gz MTKASRLHHGLLJP-VKJFTORMSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160868112 322344225 /nfs/dbraw/zinc/34/42/25/322344225.db2.gz MTKASRLHHGLLJP-VKJFTORMSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160868112 322344228 /nfs/dbraw/zinc/34/42/28/322344228.db2.gz MTKASRLHHGLLJP-VKJFTORMSA-N 2 1 289.467 2.567 20 70 CFIDMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217682534 525336987 /nfs/dbraw/zinc/33/69/87/525336987.db2.gz GQYPIUBPCBWKER-JQFCIGGWSA-N 2 1 274.408 2.973 20 70 CFIDMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217682534 525336996 /nfs/dbraw/zinc/33/69/96/525336996.db2.gz GQYPIUBPCBWKER-JQFCIGGWSA-N 2 1 274.408 2.973 20 70 CFIDMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000160424936 525375248 /nfs/dbraw/zinc/37/52/48/525375248.db2.gz CYQPIGQAAMNVPD-YOEHRIQHSA-N 2 1 282.472 2.902 20 70 CFIDMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000218114098 526450322 /nfs/dbraw/zinc/45/03/22/526450322.db2.gz VQVAROVVPDZSND-HZPDHXFCSA-N 2 1 269.392 2.884 20 70 CFIDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000160065886 348016008 /nfs/dbraw/zinc/01/60/08/348016008.db2.gz BDNSVLAEGWZYAE-GJZGRUSLSA-N 2 1 278.440 2.946 20 70 CFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000160065886 348016010 /nfs/dbraw/zinc/01/60/10/348016010.db2.gz BDNSVLAEGWZYAE-GJZGRUSLSA-N 2 1 278.440 2.946 20 70 CFIDMP CC(C)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000160465261 348018284 /nfs/dbraw/zinc/01/82/84/348018284.db2.gz SBUQJVVGOKNRLS-INIZCTEOSA-N 2 1 258.409 2.810 20 70 CFIDMP CSCC[C@H](C)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000161506766 348024781 /nfs/dbraw/zinc/02/47/81/348024781.db2.gz BBGDRHBOFNQZAM-ZDUSSCGKSA-N 2 1 278.465 2.906 20 70 CFIDMP CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000159405755 378707621 /nfs/dbraw/zinc/70/76/21/378707621.db2.gz IWIPOTOUORYIKL-ZQDZILKHSA-N 2 1 270.486 2.981 20 70 CFIDMP CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000159405755 378707629 /nfs/dbraw/zinc/70/76/29/378707629.db2.gz IWIPOTOUORYIKL-ZQDZILKHSA-N 2 1 270.486 2.981 20 70 CFIDMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160756602 378797045 /nfs/dbraw/zinc/79/70/45/378797045.db2.gz BWVMOCCSGSHMGU-SJLPKXTDSA-N 2 1 290.451 2.883 20 70 CFIDMP COCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000160101330 277235222 /nfs/dbraw/zinc/23/52/22/277235222.db2.gz KACDWDMZWHZWBD-HUUCEWRRSA-N 2 1 268.445 2.798 20 70 CFIDMP COCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000160101330 277235225 /nfs/dbraw/zinc/23/52/25/277235225.db2.gz KACDWDMZWHZWBD-HUUCEWRRSA-N 2 1 268.445 2.798 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc21 ZINC000159904205 278209769 /nfs/dbraw/zinc/20/97/69/278209769.db2.gz BWALXUPBBQXJRV-ZMSDIMECSA-N 2 1 287.451 2.510 20 70 CFIDMP C[C@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@H](C)S1 ZINC000161379609 322350793 /nfs/dbraw/zinc/35/07/93/322350793.db2.gz SCBXEXUINDNAGM-KBPBESRZSA-N 2 1 256.459 2.688 20 70 CFIDMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000160316747 322336087 /nfs/dbraw/zinc/33/60/87/322336087.db2.gz JEUCTSQHQOCOCB-LZWOXQAQSA-N 2 1 294.414 2.913 20 70 CFIDMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000161013146 523089612 /nfs/dbraw/zinc/08/96/12/523089612.db2.gz KIGRPLGCBLLSCC-IXDOHACOSA-N 2 1 295.515 2.959 20 70 CFIDMP CC[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000161013146 523089619 /nfs/dbraw/zinc/08/96/19/523089619.db2.gz KIGRPLGCBLLSCC-IXDOHACOSA-N 2 1 295.515 2.959 20 70 CFIDMP CC[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000161013146 523089630 /nfs/dbraw/zinc/08/96/30/523089630.db2.gz KIGRPLGCBLLSCC-IXDOHACOSA-N 2 1 295.515 2.959 20 70 CFIDMP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CC[N@H+]1C ZINC000159748879 525264648 /nfs/dbraw/zinc/26/46/48/525264648.db2.gz ZTNZXYILJZQUFA-CJNGLKHVSA-N 2 1 264.388 2.831 20 70 CFIDMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH3+] ZINC000218291195 348166286 /nfs/dbraw/zinc/16/62/86/348166286.db2.gz JKOBLQCUFCOUKO-NSHDSACASA-N 2 1 261.196 2.863 20 70 CFIDMP CCCn1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000159962039 540666390 /nfs/dbraw/zinc/66/63/90/540666390.db2.gz HINSGKPYCSMEJV-HNNXBMFYSA-N 2 1 278.444 2.647 20 70 CFIDMP CCCn1nccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000159962039 540666395 /nfs/dbraw/zinc/66/63/95/540666395.db2.gz HINSGKPYCSMEJV-HNNXBMFYSA-N 2 1 278.444 2.647 20 70 CFIDMP CCC[NH+]1CCC([NH2+]Cc2c(CC)nn(C)c2CC)CC1 ZINC000159631672 541002994 /nfs/dbraw/zinc/00/29/94/541002994.db2.gz GGMXIYCTQRZOTM-UHFFFAOYSA-N 2 1 292.471 2.509 20 70 CFIDMP Cc1ncc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050366 378818194 /nfs/dbraw/zinc/81/81/94/378818194.db2.gz RQGJJSSYRWPINS-SNPRPXQTSA-N 2 1 276.428 2.617 20 70 CFIDMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217688170 382787160 /nfs/dbraw/zinc/78/71/60/382787160.db2.gz FAIXWBQUCRDEGP-OLMNPRSZSA-N 2 1 288.435 2.930 20 70 CFIDMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217688170 382787162 /nfs/dbraw/zinc/78/71/62/382787162.db2.gz FAIXWBQUCRDEGP-OLMNPRSZSA-N 2 1 288.435 2.930 20 70 CFIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000161505721 287013113 /nfs/dbraw/zinc/01/31/13/287013113.db2.gz OXQRBTJCQUDELE-GFCCVEGCSA-N 2 1 279.403 2.637 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000159904333 278211046 /nfs/dbraw/zinc/21/10/46/278211046.db2.gz BWALXUPBBQXJRV-INMHGKMJSA-N 2 1 287.451 2.510 20 70 CFIDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000159450850 322322718 /nfs/dbraw/zinc/32/27/18/322322718.db2.gz CAOVVNCVIPSVTL-DOMZBBRYSA-N 2 1 255.365 2.546 20 70 CFIDMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000161013014 523248916 /nfs/dbraw/zinc/24/89/16/523248916.db2.gz KIGRPLGCBLLSCC-BRWVUGGUSA-N 2 1 295.515 2.959 20 70 CFIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000161013014 523248918 /nfs/dbraw/zinc/24/89/18/523248918.db2.gz KIGRPLGCBLLSCC-BRWVUGGUSA-N 2 1 295.515 2.959 20 70 CFIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000161013014 523248928 /nfs/dbraw/zinc/24/89/28/523248928.db2.gz KIGRPLGCBLLSCC-BRWVUGGUSA-N 2 1 295.515 2.959 20 70 CFIDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000160067688 529689405 /nfs/dbraw/zinc/68/94/05/529689405.db2.gz IVMCVLYKQNNSMN-GJZGRUSLSA-N 2 1 278.440 2.946 20 70 CFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000160067688 529689408 /nfs/dbraw/zinc/68/94/08/529689408.db2.gz IVMCVLYKQNNSMN-GJZGRUSLSA-N 2 1 278.440 2.946 20 70 CFIDMP CC(C)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000160465156 348018016 /nfs/dbraw/zinc/01/80/16/348018016.db2.gz SBUQJVVGOKNRLS-MRXNPFEDSA-N 2 1 258.409 2.810 20 70 CFIDMP CC(C)CCO[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161404661 540692724 /nfs/dbraw/zinc/69/27/24/540692724.db2.gz RYFPNSIKVYFEEG-QGZVFWFLSA-N 2 1 282.472 2.999 20 70 CFIDMP CC(C)CCO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161404661 540692728 /nfs/dbraw/zinc/69/27/28/540692728.db2.gz RYFPNSIKVYFEEG-QGZVFWFLSA-N 2 1 282.472 2.999 20 70 CFIDMP Cc1ccc(C(=O)CCN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000159999488 378742646 /nfs/dbraw/zinc/74/26/46/378742646.db2.gz ITZGWMHKYSTIIW-WBVHZDCISA-N 2 1 288.435 2.982 20 70 CFIDMP CC[NH+](CC)CCNc1cc[nH+]cc1Br ZINC000159808612 378732591 /nfs/dbraw/zinc/73/25/91/378732591.db2.gz VPSUCRHNMULGDH-UHFFFAOYSA-N 2 1 272.190 2.598 20 70 CFIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000160741302 378795250 /nfs/dbraw/zinc/79/52/50/378795250.db2.gz SZSGAMISKVPBHO-RHSMWYFYSA-N 2 1 294.414 2.713 20 70 CFIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000160741184 378795530 /nfs/dbraw/zinc/79/55/30/378795530.db2.gz SZSGAMISKVPBHO-WMLDXEAASA-N 2 1 294.414 2.713 20 70 CFIDMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000159780546 322328011 /nfs/dbraw/zinc/32/80/11/322328011.db2.gz YFWMFXKAMJQLPS-XUWVNRHRSA-N 2 1 282.472 2.900 20 70 CFIDMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000159780546 322328012 /nfs/dbraw/zinc/32/80/12/322328012.db2.gz YFWMFXKAMJQLPS-XUWVNRHRSA-N 2 1 282.472 2.900 20 70 CFIDMP CCOc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217644413 382787319 /nfs/dbraw/zinc/78/73/19/382787319.db2.gz GBBKTUWDMNYVAZ-IRXDYDNUSA-N 2 1 274.408 2.802 20 70 CFIDMP CCOc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217644413 382787321 /nfs/dbraw/zinc/78/73/21/382787321.db2.gz GBBKTUWDMNYVAZ-IRXDYDNUSA-N 2 1 274.408 2.802 20 70 CFIDMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217644413 382787322 /nfs/dbraw/zinc/78/73/22/382787322.db2.gz GBBKTUWDMNYVAZ-IRXDYDNUSA-N 2 1 274.408 2.802 20 70 CFIDMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217644413 382787325 /nfs/dbraw/zinc/78/73/25/382787325.db2.gz GBBKTUWDMNYVAZ-IRXDYDNUSA-N 2 1 274.408 2.802 20 70 CFIDMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000217912124 382788404 /nfs/dbraw/zinc/78/84/04/382788404.db2.gz XTZAVAASVPORRW-JJRVBVJISA-N 2 1 276.424 2.556 20 70 CFIDMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000217912313 382788487 /nfs/dbraw/zinc/78/84/87/382788487.db2.gz XTZAVAASVPORRW-GRDNDAEWSA-N 2 1 276.424 2.556 20 70 CFIDMP COCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000160101191 277239044 /nfs/dbraw/zinc/23/90/44/277239044.db2.gz KACDWDMZWHZWBD-LSDHHAIUSA-N 2 1 268.445 2.798 20 70 CFIDMP COCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000160101191 277239045 /nfs/dbraw/zinc/23/90/45/277239045.db2.gz KACDWDMZWHZWBD-LSDHHAIUSA-N 2 1 268.445 2.798 20 70 CFIDMP C[C@@H]1[C@H](C)SCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161160155 278094883 /nfs/dbraw/zinc/09/48/83/278094883.db2.gz MUSPACNTITXQCK-KGLIPLIRSA-N 2 1 256.459 2.688 20 70 CFIDMP C[C@@H]1[C@H](C)SCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161160155 278094885 /nfs/dbraw/zinc/09/48/85/278094885.db2.gz MUSPACNTITXQCK-KGLIPLIRSA-N 2 1 256.459 2.688 20 70 CFIDMP C[C@H](c1ccncc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161460366 278314654 /nfs/dbraw/zinc/31/46/54/278314654.db2.gz JRMFKRBJNDYUTG-OAHLLOKOSA-N 2 1 261.413 2.950 20 70 CFIDMP C[C@H](c1ccncc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161460366 278314655 /nfs/dbraw/zinc/31/46/55/278314655.db2.gz JRMFKRBJNDYUTG-OAHLLOKOSA-N 2 1 261.413 2.950 20 70 CFIDMP COCC[C@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160416564 322338151 /nfs/dbraw/zinc/33/81/51/322338151.db2.gz GIOQXDXEBLQMIU-ZFWWWQNUSA-N 2 1 256.434 2.512 20 70 CFIDMP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000159476864 322323563 /nfs/dbraw/zinc/32/35/63/322323563.db2.gz UXIDZJVCFPPLTA-RDJZCZTQSA-N 2 1 260.425 2.776 20 70 CFIDMP CC[N@H+]1CC[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC000160399012 322337529 /nfs/dbraw/zinc/33/75/29/322337529.db2.gz YHUNMIOACKNDMM-NJAFHUGGSA-N 2 1 295.515 2.817 20 70 CFIDMP C(C[NH+]1CCCCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161277317 518387134 /nfs/dbraw/zinc/38/71/34/518387134.db2.gz SXSFMXAWRQAUSN-UHFFFAOYSA-N 3 1 293.499 2.670 20 70 CFIDMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000160670414 526339445 /nfs/dbraw/zinc/33/94/45/526339445.db2.gz UNMLHDMZHFLPNZ-GXTWGEPZSA-N 2 1 281.469 2.704 20 70 CFIDMP CCOC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161113971 529020154 /nfs/dbraw/zinc/02/01/54/529020154.db2.gz CQXBRGBUZPOOPB-INIZCTEOSA-N 2 1 268.445 2.611 20 70 CFIDMP CCCn1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000160108930 540668707 /nfs/dbraw/zinc/66/87/07/540668707.db2.gz PLFGGPXCAKDKEN-OAHLLOKOSA-N 2 1 278.444 2.505 20 70 CFIDMP Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050490 378818381 /nfs/dbraw/zinc/81/83/81/378818381.db2.gz RQGJJSSYRWPINS-QEJZJMRPSA-N 2 1 276.428 2.617 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000160477413 394366669 /nfs/dbraw/zinc/36/66/69/394366669.db2.gz WQFFVTFWECRWJF-IIDMSEBBSA-N 2 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477413 394366671 /nfs/dbraw/zinc/36/66/71/394366671.db2.gz WQFFVTFWECRWJF-IIDMSEBBSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477413 394366673 /nfs/dbraw/zinc/36/66/73/394366673.db2.gz WQFFVTFWECRWJF-IIDMSEBBSA-N 3 1 293.499 2.712 20 70 CFIDMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000161438745 276583396 /nfs/dbraw/zinc/58/33/96/276583396.db2.gz KEWKTEKEUWQCEO-INIZCTEOSA-N 2 1 262.397 2.830 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160867982 322343991 /nfs/dbraw/zinc/34/39/91/322343991.db2.gz MTKASRLHHGLLJP-RKVPGOIHSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160867982 322343994 /nfs/dbraw/zinc/34/39/94/322343994.db2.gz MTKASRLHHGLLJP-RKVPGOIHSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160867982 322343997 /nfs/dbraw/zinc/34/39/97/322343997.db2.gz MTKASRLHHGLLJP-RKVPGOIHSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160867982 322344000 /nfs/dbraw/zinc/34/40/00/322344000.db2.gz MTKASRLHHGLLJP-RKVPGOIHSA-N 2 1 289.467 2.567 20 70 CFIDMP CC(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160584796 519813084 /nfs/dbraw/zinc/81/30/84/519813084.db2.gz VYSFWQZAAACGAM-HNNXBMFYSA-N 2 1 276.424 2.653 20 70 CFIDMP CCC[N@@H+](C)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161393498 521491887 /nfs/dbraw/zinc/49/18/87/521491887.db2.gz MXFDCFLHXHIEMO-KRWDZBQOSA-N 2 1 281.488 2.526 20 70 CFIDMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000160961362 524810557 /nfs/dbraw/zinc/81/05/57/524810557.db2.gz IDLBDDNBOBRTMP-BPUTZDHNSA-N 2 1 258.409 2.789 20 70 CFIDMP C[C@@H]1C[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@H+]1C ZINC000160391932 525440260 /nfs/dbraw/zinc/44/02/60/525440260.db2.gz DFZNPADUUZNZCQ-OIISXLGYSA-N 2 1 281.488 2.569 20 70 CFIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048866 525611894 /nfs/dbraw/zinc/61/18/94/525611894.db2.gz KTZRRMJAVHPDAS-SRVKXCTJSA-N 2 1 253.415 2.667 20 70 CFIDMP CSCC[C@@H](C)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000161506874 348024574 /nfs/dbraw/zinc/02/45/74/348024574.db2.gz BBGDRHBOFNQZAM-CYBMUJFWSA-N 2 1 278.465 2.906 20 70 CFIDMP CCCn1nccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000159986306 540666879 /nfs/dbraw/zinc/66/68/79/540666879.db2.gz QQDRZUSPIUYMBX-UHFFFAOYSA-N 2 1 278.444 2.505 20 70 CFIDMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000160251210 378759098 /nfs/dbraw/zinc/75/90/98/378759098.db2.gz IDSVQEDFPVHUIS-OCCSQVGLSA-N 2 1 282.815 2.791 20 70 CFIDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C)CC1 ZINC000160621658 279491040 /nfs/dbraw/zinc/49/10/40/279491040.db2.gz QIZYYWMDGHPMER-HNNXBMFYSA-N 2 1 288.435 2.797 20 70 CFIDMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000160673676 298913745 /nfs/dbraw/zinc/91/37/45/298913745.db2.gz WESPCSLFQNHIOG-CQSZACIVSA-N 2 1 276.424 2.787 20 70 CFIDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000159450974 322322683 /nfs/dbraw/zinc/32/26/83/322322683.db2.gz CAOVVNCVIPSVTL-WFASDCNBSA-N 2 1 255.365 2.546 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160868345 322344240 /nfs/dbraw/zinc/34/42/40/322344240.db2.gz MTKASRLHHGLLJP-RVKKMQEKSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160868345 322344242 /nfs/dbraw/zinc/34/42/42/322344242.db2.gz MTKASRLHHGLLJP-RVKKMQEKSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160868345 322344244 /nfs/dbraw/zinc/34/42/44/322344244.db2.gz MTKASRLHHGLLJP-RVKKMQEKSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160868345 322344247 /nfs/dbraw/zinc/34/42/47/322344247.db2.gz MTKASRLHHGLLJP-RVKKMQEKSA-N 2 1 289.467 2.567 20 70 CFIDMP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217646008 523947203 /nfs/dbraw/zinc/94/72/03/523947203.db2.gz ZXEXMQCXIRROAI-IRXDYDNUSA-N 2 1 258.409 2.965 20 70 CFIDMP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217646008 523947208 /nfs/dbraw/zinc/94/72/08/523947208.db2.gz ZXEXMQCXIRROAI-IRXDYDNUSA-N 2 1 258.409 2.965 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048616 525560780 /nfs/dbraw/zinc/56/07/80/525560780.db2.gz KTZRRMJAVHPDAS-TUAOUCFPSA-N 2 1 253.415 2.667 20 70 CFIDMP CCCC[N@@H+](CCC[NH+]1CCCCC1)CCOC ZINC000161040911 528409258 /nfs/dbraw/zinc/40/92/58/528409258.db2.gz RDLWRSVUSVQMEC-UHFFFAOYSA-N 2 1 256.434 2.611 20 70 CFIDMP CCCn1nccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159985061 540666128 /nfs/dbraw/zinc/66/61/28/540666128.db2.gz FIDFDTTXFNCWTG-UHFFFAOYSA-N 2 1 278.444 2.692 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)COCc1ccccc1 ZINC000161295516 378836880 /nfs/dbraw/zinc/83/68/80/378836880.db2.gz XNTQTEOTEOZBPC-JFIYKMOQSA-N 2 1 290.451 2.912 20 70 CFIDMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217688352 382787499 /nfs/dbraw/zinc/78/74/99/382787499.db2.gz FAIXWBQUCRDEGP-JLSDUUJJSA-N 2 1 288.435 2.930 20 70 CFIDMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217688352 382787502 /nfs/dbraw/zinc/78/75/02/382787502.db2.gz FAIXWBQUCRDEGP-JLSDUUJJSA-N 2 1 288.435 2.930 20 70 CFIDMP C[C@@H](c1ccncc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161460253 287156219 /nfs/dbraw/zinc/15/62/19/287156219.db2.gz JRMFKRBJNDYUTG-HNNXBMFYSA-N 2 1 261.413 2.950 20 70 CFIDMP C[C@@H](c1ccncc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161460253 287156223 /nfs/dbraw/zinc/15/62/23/287156223.db2.gz JRMFKRBJNDYUTG-HNNXBMFYSA-N 2 1 261.413 2.950 20 70 CFIDMP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000159405880 276397685 /nfs/dbraw/zinc/39/76/85/276397685.db2.gz IWIPOTOUORYIKL-GBJTYRQASA-N 2 1 270.486 2.981 20 70 CFIDMP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000159405880 276397686 /nfs/dbraw/zinc/39/76/86/276397686.db2.gz IWIPOTOUORYIKL-GBJTYRQASA-N 2 1 270.486 2.981 20 70 CFIDMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000160853813 279349882 /nfs/dbraw/zinc/34/98/82/279349882.db2.gz HIRSDHJIBOWGSQ-LZLYRXPVSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000160853813 279349886 /nfs/dbraw/zinc/34/98/86/279349886.db2.gz HIRSDHJIBOWGSQ-LZLYRXPVSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000160853813 279349888 /nfs/dbraw/zinc/34/98/88/279349888.db2.gz HIRSDHJIBOWGSQ-LZLYRXPVSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000160853813 279349890 /nfs/dbraw/zinc/34/98/90/279349890.db2.gz HIRSDHJIBOWGSQ-LZLYRXPVSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000160853813 279349893 /nfs/dbraw/zinc/34/98/93/279349893.db2.gz HIRSDHJIBOWGSQ-LZLYRXPVSA-N 2 1 289.467 2.579 20 70 CFIDMP CC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000160355564 322336947 /nfs/dbraw/zinc/33/69/47/322336947.db2.gz OFFKJUQYHHYLKH-INIZCTEOSA-N 2 1 289.467 2.712 20 70 CFIDMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1(CC)CC ZINC000161301982 322350034 /nfs/dbraw/zinc/35/00/34/322350034.db2.gz LRSNLUOAFBSPCK-XUWVNRHRSA-N 2 1 282.472 2.900 20 70 CFIDMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1(CC)CC ZINC000161301982 322350037 /nfs/dbraw/zinc/35/00/37/322350037.db2.gz LRSNLUOAFBSPCK-XUWVNRHRSA-N 2 1 282.472 2.900 20 70 CFIDMP CCC[N@@H+](CC)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000217731948 521610832 /nfs/dbraw/zinc/61/08/32/521610832.db2.gz NFOOHGLECVZTPI-HOTGVXAUSA-N 2 1 269.477 2.619 20 70 CFIDMP CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000161383618 523438500 /nfs/dbraw/zinc/43/85/00/523438500.db2.gz WLMWMDALUUFOHL-CQSZACIVSA-N 2 1 256.459 2.690 20 70 CFIDMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000161383618 523438506 /nfs/dbraw/zinc/43/85/06/523438506.db2.gz WLMWMDALUUFOHL-CQSZACIVSA-N 2 1 256.459 2.690 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160078466 524909987 /nfs/dbraw/zinc/90/99/87/524909987.db2.gz VEUBQSJRVYEBQD-XUJVJEKNSA-N 2 1 298.377 2.662 20 70 CFIDMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000160425194 525403376 /nfs/dbraw/zinc/40/33/76/525403376.db2.gz CYQPIGQAAMNVPD-WMLDXEAASA-N 2 1 282.472 2.902 20 70 CFIDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000160960973 525438686 /nfs/dbraw/zinc/43/86/86/525438686.db2.gz IDLBDDNBOBRTMP-VNQPRFMTSA-N 2 1 258.409 2.789 20 70 CFIDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C)CC1 ZINC000160621796 525521532 /nfs/dbraw/zinc/52/15/32/525521532.db2.gz QIZYYWMDGHPMER-OAHLLOKOSA-N 2 1 288.435 2.797 20 70 CFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000160065777 348016056 /nfs/dbraw/zinc/01/60/56/348016056.db2.gz BDNSVLAEGWZYAE-LSDHHAIUSA-N 2 1 278.440 2.946 20 70 CFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000160065777 348016059 /nfs/dbraw/zinc/01/60/59/348016059.db2.gz BDNSVLAEGWZYAE-LSDHHAIUSA-N 2 1 278.440 2.946 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065457 378746863 /nfs/dbraw/zinc/74/68/63/378746863.db2.gz GSMKIWLYLZYKAP-FMKPAKJESA-N 2 1 291.439 2.687 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000160065457 378746865 /nfs/dbraw/zinc/74/68/65/378746865.db2.gz GSMKIWLYLZYKAP-FMKPAKJESA-N 2 1 291.439 2.687 20 70 CFIDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000160664149 378789751 /nfs/dbraw/zinc/78/97/51/378789751.db2.gz GIBYROAHFPGCSV-LSDHHAIUSA-N 2 1 296.480 2.944 20 70 CFIDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160753966 378797300 /nfs/dbraw/zinc/79/73/00/378797300.db2.gz RZXYEUVWPHGBNF-FUHWJXTLSA-N 2 1 290.451 2.883 20 70 CFIDMP CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000160323828 322336361 /nfs/dbraw/zinc/33/63/61/322336361.db2.gz ZYEYTMYYAJDJNI-MRXNPFEDSA-N 2 1 289.467 2.712 20 70 CFIDMP CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000160323915 322336436 /nfs/dbraw/zinc/33/64/36/322336436.db2.gz ZYEYTMYYAJDJNI-INIZCTEOSA-N 2 1 289.467 2.712 20 70 CFIDMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000160459876 522812468 /nfs/dbraw/zinc/81/24/68/522812468.db2.gz UTMUXWSJKAETQO-QGZVFWFLSA-N 2 1 290.455 2.868 20 70 CFIDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000160630185 522875165 /nfs/dbraw/zinc/87/51/65/522875165.db2.gz HKXVPVOFAQBWDY-GOSISDBHSA-N 2 1 288.435 2.797 20 70 CFIDMP Cc1cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159666879 524668860 /nfs/dbraw/zinc/66/88/60/524668860.db2.gz HNCMJSCHFOVCGJ-QGZVFWFLSA-N 2 1 269.392 2.712 20 70 CFIDMP Cc1cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159666879 524668872 /nfs/dbraw/zinc/66/88/72/524668872.db2.gz HNCMJSCHFOVCGJ-QGZVFWFLSA-N 2 1 269.392 2.712 20 70 CFIDMP Cc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)ccc2n1 ZINC000218371357 526230045 /nfs/dbraw/zinc/23/00/45/526230045.db2.gz SYNGHXYJRWNRCP-LRDDRELGSA-N 2 1 269.392 2.712 20 70 CFIDMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCC(C)C)CC1 ZINC000161493894 527408966 /nfs/dbraw/zinc/40/89/66/527408966.db2.gz UFOFHJRHVWPEDP-UHFFFAOYSA-N 2 1 279.428 2.719 20 70 CFIDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160052047 378744872 /nfs/dbraw/zinc/74/48/72/378744872.db2.gz IWLXVRVJVJFNBD-GDBMZVCRSA-N 2 1 291.439 2.689 20 70 CFIDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160052047 378744879 /nfs/dbraw/zinc/74/48/79/378744879.db2.gz IWLXVRVJVJFNBD-GDBMZVCRSA-N 2 1 291.439 2.689 20 70 CFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160114511 378750056 /nfs/dbraw/zinc/75/00/56/378750056.db2.gz TVHJJQNZKVVJAB-MRXNPFEDSA-N 2 1 289.467 2.975 20 70 CFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160114511 378750062 /nfs/dbraw/zinc/75/00/62/378750062.db2.gz TVHJJQNZKVVJAB-MRXNPFEDSA-N 2 1 289.467 2.975 20 70 CFIDMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161492581 378851565 /nfs/dbraw/zinc/85/15/65/378851565.db2.gz GCHUCWTYHYSYKO-ZIAGYGMSSA-N 2 1 276.424 2.871 20 70 CFIDMP c1cnc2c(c1)cccc2CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217632286 382787457 /nfs/dbraw/zinc/78/74/57/382787457.db2.gz WEROAEBXSYCOFV-IRXDYDNUSA-N 2 1 281.403 2.951 20 70 CFIDMP c1cnc2c(c1)cccc2C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217632286 382787461 /nfs/dbraw/zinc/78/74/61/382787461.db2.gz WEROAEBXSYCOFV-IRXDYDNUSA-N 2 1 281.403 2.951 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1)[C@H]1CCOC1 ZINC000160058029 394366133 /nfs/dbraw/zinc/36/61/33/394366133.db2.gz TZJLQQWOMBHRPB-HRCADAONSA-N 2 1 280.456 2.798 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1)[C@H]1CCOC1 ZINC000160058029 394366135 /nfs/dbraw/zinc/36/61/35/394366135.db2.gz TZJLQQWOMBHRPB-HRCADAONSA-N 2 1 280.456 2.798 20 70 CFIDMP COCC[C@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000160416790 322338091 /nfs/dbraw/zinc/33/80/91/322338091.db2.gz GIOQXDXEBLQMIU-DZGCQCFKSA-N 2 1 256.434 2.512 20 70 CFIDMP COCC[C@@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000160416921 322338164 /nfs/dbraw/zinc/33/81/64/322338164.db2.gz GIOQXDXEBLQMIU-UKRRQHHQSA-N 2 1 256.434 2.512 20 70 CFIDMP CC(C)=CCC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160689754 322341643 /nfs/dbraw/zinc/34/16/43/322341643.db2.gz AUYKQVOISNYYDW-DLBZAZTESA-N 2 1 282.472 2.948 20 70 CFIDMP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161122909 519980306 /nfs/dbraw/zinc/98/03/06/519980306.db2.gz KMJQNSCDHJOALR-IMJJTQAJSA-N 2 1 278.444 2.987 20 70 CFIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1(C)CC1 ZINC000160488675 525461837 /nfs/dbraw/zinc/46/18/37/525461837.db2.gz KJQBQFXFTOJZFN-HNNXBMFYSA-N 2 1 288.435 2.797 20 70 CFIDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160051907 378745511 /nfs/dbraw/zinc/74/55/11/378745511.db2.gz IWLXVRVJVJFNBD-ZBFHGGJFSA-N 2 1 291.439 2.689 20 70 CFIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160051907 378745517 /nfs/dbraw/zinc/74/55/17/378745517.db2.gz IWLXVRVJVJFNBD-ZBFHGGJFSA-N 2 1 291.439 2.689 20 70 CFIDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccc2)CC1 ZINC000161442923 378847259 /nfs/dbraw/zinc/84/72/59/378847259.db2.gz KEVKMVVKCZKTLP-QGZVFWFLSA-N 2 1 287.451 2.683 20 70 CFIDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000161442923 378847267 /nfs/dbraw/zinc/84/72/67/378847267.db2.gz KEVKMVVKCZKTLP-QGZVFWFLSA-N 2 1 287.451 2.683 20 70 CFIDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000161442923 378847273 /nfs/dbraw/zinc/84/72/73/378847273.db2.gz KEVKMVVKCZKTLP-QGZVFWFLSA-N 2 1 287.451 2.683 20 70 CFIDMP CCOc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217644338 382787173 /nfs/dbraw/zinc/78/71/73/382787173.db2.gz GBBKTUWDMNYVAZ-SJORKVTESA-N 2 1 274.408 2.802 20 70 CFIDMP CCOc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217644338 382787175 /nfs/dbraw/zinc/78/71/75/382787175.db2.gz GBBKTUWDMNYVAZ-SJORKVTESA-N 2 1 274.408 2.802 20 70 CFIDMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217644338 382787176 /nfs/dbraw/zinc/78/71/76/382787176.db2.gz GBBKTUWDMNYVAZ-SJORKVTESA-N 2 1 274.408 2.802 20 70 CFIDMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217644338 382787177 /nfs/dbraw/zinc/78/71/77/382787177.db2.gz GBBKTUWDMNYVAZ-SJORKVTESA-N 2 1 274.408 2.802 20 70 CFIDMP CC(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160584685 519792386 /nfs/dbraw/zinc/79/23/86/519792386.db2.gz VYSFWQZAAACGAM-OAHLLOKOSA-N 2 1 276.424 2.653 20 70 CFIDMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000218371811 526230736 /nfs/dbraw/zinc/23/07/36/526230736.db2.gz FKDHNFDICAEESB-DYVFJYSZSA-N 2 1 283.419 2.960 20 70 CFIDMP C[NH+]1CCC([NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000216688714 539618457 /nfs/dbraw/zinc/61/84/57/539618457.db2.gz NNGZJKJMPWVRMT-UHFFFAOYSA-N 2 1 262.441 2.743 20 70 CFIDMP Cc1ccc(C(=O)CCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000159999346 378742151 /nfs/dbraw/zinc/74/21/51/378742151.db2.gz ITZGWMHKYSTIIW-NVXWUHKLSA-N 2 1 288.435 2.982 20 70 CFIDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000160498697 378777275 /nfs/dbraw/zinc/77/72/75/378777275.db2.gz VRFLOKUSQORCIK-SFHVURJKSA-N 2 1 288.435 2.797 20 70 CFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161360805 378840479 /nfs/dbraw/zinc/84/04/79/378840479.db2.gz QNTZHAHNBGIYIH-BBRMVZONSA-N 2 1 276.399 2.787 20 70 CFIDMP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000161483277 378851377 /nfs/dbraw/zinc/85/13/77/378851377.db2.gz QYLRUQDCTHSGIN-UHFFFAOYSA-N 2 1 256.459 2.690 20 70 CFIDMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000161483277 378851381 /nfs/dbraw/zinc/85/13/81/378851381.db2.gz QYLRUQDCTHSGIN-UHFFFAOYSA-N 2 1 256.459 2.690 20 70 CFIDMP c1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000161505910 378852745 /nfs/dbraw/zinc/85/27/45/378852745.db2.gz NYTVBMOXUQMPAA-KRWDZBQOSA-N 2 1 258.409 2.962 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)COCc1ccccc1 ZINC000161295897 378837423 /nfs/dbraw/zinc/83/74/23/378837423.db2.gz XNTQTEOTEOZBPC-RYRKJORJSA-N 2 1 290.451 2.912 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000160057757 394366176 /nfs/dbraw/zinc/36/61/76/394366176.db2.gz TZJLQQWOMBHRPB-ARFHVFGLSA-N 2 1 280.456 2.798 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000160057757 394366178 /nfs/dbraw/zinc/36/61/78/394366178.db2.gz TZJLQQWOMBHRPB-ARFHVFGLSA-N 2 1 280.456 2.798 20 70 CFIDMP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161123030 276083893 /nfs/dbraw/zinc/08/38/93/276083893.db2.gz KMJQNSCDHJOALR-KBMXLJTQSA-N 2 1 278.444 2.987 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc21 ZINC000159904449 279353621 /nfs/dbraw/zinc/35/36/21/279353621.db2.gz BWALXUPBBQXJRV-UXLLHSPISA-N 2 1 287.451 2.510 20 70 CFIDMP CSCC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000161494708 322352530 /nfs/dbraw/zinc/35/25/30/322352530.db2.gz MCHIDLFUCUNSHT-ZDUSSCGKSA-N 2 1 278.465 2.906 20 70 CFIDMP CC(C)COC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161493995 519751448 /nfs/dbraw/zinc/75/14/48/519751448.db2.gz PWWIKAGGKCRQKZ-HNNXBMFYSA-N 2 1 268.445 2.608 20 70 CFIDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(F)cc1 ZINC000161316560 522749265 /nfs/dbraw/zinc/74/92/65/522749265.db2.gz ZCOUZCIOHVHPFU-UHFFFAOYSA-N 2 1 280.387 2.622 20 70 CFIDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(F)cc1 ZINC000161316560 522749272 /nfs/dbraw/zinc/74/92/72/522749272.db2.gz ZCOUZCIOHVHPFU-UHFFFAOYSA-N 2 1 280.387 2.622 20 70 CFIDMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000160961085 524923048 /nfs/dbraw/zinc/92/30/48/524923048.db2.gz IDLBDDNBOBRTMP-CWRNSKLLSA-N 2 1 258.409 2.789 20 70 CFIDMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000160422503 541416624 /nfs/dbraw/zinc/41/66/24/541416624.db2.gz VDVFQNGOUAJVTJ-MAUKXSAKSA-N 3 1 295.515 2.817 20 70 CFIDMP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160440954 378771694 /nfs/dbraw/zinc/77/16/94/378771694.db2.gz YWVPWLISUCRKSA-OAHLLOKOSA-N 2 1 276.424 2.653 20 70 CFIDMP COc1cc(C[N@@H+](C)CCn2ccnc2)ccc1SC ZINC000161508152 378853330 /nfs/dbraw/zinc/85/33/30/378853330.db2.gz CYCRLKZMELPUOH-UHFFFAOYSA-N 2 1 291.420 2.746 20 70 CFIDMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218125538 382789507 /nfs/dbraw/zinc/78/95/07/382789507.db2.gz NMBKRJLHZOPLHP-XIRDDKMYSA-N 2 1 288.435 2.843 20 70 CFIDMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218125538 382789511 /nfs/dbraw/zinc/78/95/11/382789511.db2.gz NMBKRJLHZOPLHP-XIRDDKMYSA-N 2 1 288.435 2.843 20 70 CFIDMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000160047385 394366112 /nfs/dbraw/zinc/36/61/12/394366112.db2.gz LZHNARGJXZCPOM-IXDOHACOSA-N 2 1 293.499 2.856 20 70 CFIDMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000160047385 394366114 /nfs/dbraw/zinc/36/61/14/394366114.db2.gz LZHNARGJXZCPOM-IXDOHACOSA-N 2 1 293.499 2.856 20 70 CFIDMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000160047385 394366116 /nfs/dbraw/zinc/36/61/16/394366116.db2.gz LZHNARGJXZCPOM-IXDOHACOSA-N 2 1 293.499 2.856 20 70 CFIDMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000161350584 394367289 /nfs/dbraw/zinc/36/72/89/394367289.db2.gz DEALMQKHRKFFKX-BBRMVZONSA-N 2 1 276.399 2.930 20 70 CFIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCOC)C1 ZINC000161022353 322346127 /nfs/dbraw/zinc/34/61/27/322346127.db2.gz ILDMLWFCFJSSPS-LSDHHAIUSA-N 2 1 270.461 2.902 20 70 CFIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCOC)C1 ZINC000161022353 322346129 /nfs/dbraw/zinc/34/61/29/322346129.db2.gz ILDMLWFCFJSSPS-LSDHHAIUSA-N 2 1 270.461 2.902 20 70 CFIDMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000160422352 541419693 /nfs/dbraw/zinc/41/96/93/541419693.db2.gz VDVFQNGOUAJVTJ-QAPCUYQASA-N 3 1 295.515 2.817 20 70 CFIDMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160756747 378796520 /nfs/dbraw/zinc/79/65/20/378796520.db2.gz BWVMOCCSGSHMGU-FUHWJXTLSA-N 2 1 290.451 2.883 20 70 CFIDMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000160853703 378804111 /nfs/dbraw/zinc/80/41/11/378804111.db2.gz HIRSDHJIBOWGSQ-JFIYKMOQSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000160853703 378804118 /nfs/dbraw/zinc/80/41/18/378804118.db2.gz HIRSDHJIBOWGSQ-JFIYKMOQSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000160853703 378804125 /nfs/dbraw/zinc/80/41/25/378804125.db2.gz HIRSDHJIBOWGSQ-JFIYKMOQSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000160853703 378804130 /nfs/dbraw/zinc/80/41/30/378804130.db2.gz HIRSDHJIBOWGSQ-JFIYKMOQSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000160853703 378804135 /nfs/dbraw/zinc/80/41/35/378804135.db2.gz HIRSDHJIBOWGSQ-JFIYKMOQSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)COCc1ccccc1 ZINC000161295638 378836771 /nfs/dbraw/zinc/83/67/71/378836771.db2.gz XNTQTEOTEOZBPC-SOLBZPMBSA-N 2 1 290.451 2.912 20 70 CFIDMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1O ZINC000217916449 382788386 /nfs/dbraw/zinc/78/83/86/382788386.db2.gz HZQGAZZRTUDSFL-DLBZAZTESA-N 2 1 288.435 2.925 20 70 CFIDMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1O ZINC000217916449 382788388 /nfs/dbraw/zinc/78/83/88/382788388.db2.gz HZQGAZZRTUDSFL-DLBZAZTESA-N 2 1 288.435 2.925 20 70 CFIDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1O ZINC000217916449 382788389 /nfs/dbraw/zinc/78/83/89/382788389.db2.gz HZQGAZZRTUDSFL-DLBZAZTESA-N 2 1 288.435 2.925 20 70 CFIDMP c1cc2c(cccc2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000218109882 382789337 /nfs/dbraw/zinc/78/93/37/382789337.db2.gz PPHKIJKQBNDNEO-IRXDYDNUSA-N 2 1 269.392 2.884 20 70 CFIDMP c1cc2c(cccc2C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)[nH]1 ZINC000218109882 382789339 /nfs/dbraw/zinc/78/93/39/382789339.db2.gz PPHKIJKQBNDNEO-IRXDYDNUSA-N 2 1 269.392 2.884 20 70 CFIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000161505620 278253772 /nfs/dbraw/zinc/25/37/72/278253772.db2.gz OXQRBTJCQUDELE-LBPRGKRZSA-N 2 1 279.403 2.637 20 70 CFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000160067563 529344148 /nfs/dbraw/zinc/34/41/48/529344148.db2.gz IVMCVLYKQNNSMN-LSDHHAIUSA-N 2 1 278.440 2.946 20 70 CFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000160067563 529344149 /nfs/dbraw/zinc/34/41/49/529344149.db2.gz IVMCVLYKQNNSMN-LSDHHAIUSA-N 2 1 278.440 2.946 20 70 CFIDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217697540 545508340 /nfs/dbraw/zinc/50/83/40/545508340.db2.gz BULIECZHJDYNJY-WBAXXEDZSA-N 2 1 288.435 2.843 20 70 CFIDMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000160422641 541419515 /nfs/dbraw/zinc/41/95/15/541419515.db2.gz VDVFQNGOUAJVTJ-CRAIPNDOSA-N 3 1 295.515 2.817 20 70 CFIDMP CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000160020802 378743861 /nfs/dbraw/zinc/74/38/61/378743861.db2.gz YFRILODACGUORX-INIZCTEOSA-N 2 1 288.435 2.841 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065581 378747585 /nfs/dbraw/zinc/74/75/85/378747585.db2.gz GSMKIWLYLZYKAP-YCPHGPKFSA-N 2 1 291.439 2.687 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000160065581 378747593 /nfs/dbraw/zinc/74/75/93/378747593.db2.gz GSMKIWLYLZYKAP-YCPHGPKFSA-N 2 1 291.439 2.687 20 70 CFIDMP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050169 378817562 /nfs/dbraw/zinc/81/75/62/378817562.db2.gz RQGJJSSYRWPINS-YUELXQCFSA-N 2 1 276.428 2.617 20 70 CFIDMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161492702 378850516 /nfs/dbraw/zinc/85/05/16/378850516.db2.gz GCHUCWTYHYSYKO-UONOGXRCSA-N 2 1 276.424 2.871 20 70 CFIDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852600 /nfs/dbraw/zinc/85/26/00/378852600.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 2 1 258.409 2.960 20 70 CFIDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852602 /nfs/dbraw/zinc/85/26/02/378852602.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 2 1 258.409 2.960 20 70 CFIDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852608 /nfs/dbraw/zinc/85/26/08/378852608.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 2 1 258.409 2.960 20 70 CFIDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440590 382786742 /nfs/dbraw/zinc/78/67/42/382786742.db2.gz PURYOPZTMZKRHJ-HEHGZKQESA-N 2 1 292.423 2.522 20 70 CFIDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440590 382786744 /nfs/dbraw/zinc/78/67/44/382786744.db2.gz PURYOPZTMZKRHJ-HEHGZKQESA-N 2 1 292.423 2.522 20 70 CFIDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218162434 382789415 /nfs/dbraw/zinc/78/94/15/382789415.db2.gz LDNHPPBCBCAYFX-AWEZNQCLSA-N 2 1 271.408 2.988 20 70 CFIDMP C[C@@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@@H](C)S1 ZINC000161379696 322350947 /nfs/dbraw/zinc/35/09/47/322350947.db2.gz SCBXEXUINDNAGM-ZIAGYGMSSA-N 2 1 256.459 2.688 20 70 CFIDMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161434649 522747881 /nfs/dbraw/zinc/74/78/81/522747881.db2.gz WEGMYKMAKVVBJJ-XHSDSOJGSA-N 2 1 280.456 2.608 20 70 CFIDMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCCC1 ZINC000160687613 524037681 /nfs/dbraw/zinc/03/76/81/524037681.db2.gz SEODJEKYBDVQNG-ZNMIVQPWSA-N 2 1 280.456 2.654 20 70 CFIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000160685670 378790983 /nfs/dbraw/zinc/79/09/83/378790983.db2.gz BFBSDHOHMTUBBF-QZTJIDSGSA-N 2 1 290.451 2.964 20 70 CFIDMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000161438875 378847968 /nfs/dbraw/zinc/84/79/68/378847968.db2.gz KEWKTEKEUWQCEO-MRXNPFEDSA-N 2 1 262.397 2.830 20 70 CFIDMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217697163 382787283 /nfs/dbraw/zinc/78/72/83/382787283.db2.gz GKBDPIIKYNCNDR-KBMXLJTQSA-N 2 1 262.397 2.817 20 70 CFIDMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217697163 382787285 /nfs/dbraw/zinc/78/72/85/382787285.db2.gz GKBDPIIKYNCNDR-KBMXLJTQSA-N 2 1 262.397 2.817 20 70 CFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161360674 394367298 /nfs/dbraw/zinc/36/72/98/394367298.db2.gz QNTZHAHNBGIYIH-CJNGLKHVSA-N 2 1 276.399 2.787 20 70 CFIDMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259262 522583638 /nfs/dbraw/zinc/58/36/38/522583638.db2.gz GJVQJGGKNZHYOP-HOCLYGCPSA-N 2 1 278.444 2.725 20 70 CFIDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259262 522583650 /nfs/dbraw/zinc/58/36/50/522583650.db2.gz GJVQJGGKNZHYOP-HOCLYGCPSA-N 2 1 278.444 2.725 20 70 CFIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000161015084 523087132 /nfs/dbraw/zinc/08/71/32/523087132.db2.gz MYBXBLJOMPCEBN-HRCADAONSA-N 2 1 282.472 2.902 20 70 CFIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000161015084 523087142 /nfs/dbraw/zinc/08/71/42/523087142.db2.gz MYBXBLJOMPCEBN-HRCADAONSA-N 2 1 282.472 2.902 20 70 CFIDMP Cc1cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159666740 524665412 /nfs/dbraw/zinc/66/54/12/524665412.db2.gz HNCMJSCHFOVCGJ-KRWDZBQOSA-N 2 1 269.392 2.712 20 70 CFIDMP Cc1cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159666740 524665420 /nfs/dbraw/zinc/66/54/20/524665420.db2.gz HNCMJSCHFOVCGJ-KRWDZBQOSA-N 2 1 269.392 2.712 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000160477273 378775800 /nfs/dbraw/zinc/77/58/00/378775800.db2.gz WQFFVTFWECRWJF-VKJFTORMSA-N 2 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477273 378775805 /nfs/dbraw/zinc/77/58/05/378775805.db2.gz WQFFVTFWECRWJF-VKJFTORMSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477273 378775809 /nfs/dbraw/zinc/77/58/09/378775809.db2.gz WQFFVTFWECRWJF-VKJFTORMSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104511 378821403 /nfs/dbraw/zinc/82/14/03/378821403.db2.gz BSXLURPWKBSSBN-CQDKDKBSSA-N 2 1 265.376 2.744 20 70 CFIDMP C[N@H+](CCc1ccc(F)cc1)CC[C@H]1CCC[NH+]1C ZINC000161452367 378848383 /nfs/dbraw/zinc/84/83/83/378848383.db2.gz XHZPXBPTQACTCS-MRXNPFEDSA-N 2 1 264.388 2.784 20 70 CFIDMP C[NH+](CCc1ccc(F)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000161452367 378848386 /nfs/dbraw/zinc/84/83/86/378848386.db2.gz XHZPXBPTQACTCS-MRXNPFEDSA-N 2 1 264.388 2.784 20 70 CFIDMP C[NH+](CCc1ccc(F)cc1)CC[C@H]1CCC[N@H+]1C ZINC000161452367 378848389 /nfs/dbraw/zinc/84/83/89/378848389.db2.gz XHZPXBPTQACTCS-MRXNPFEDSA-N 2 1 264.388 2.784 20 70 CFIDMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217697007 382787439 /nfs/dbraw/zinc/78/74/39/382787439.db2.gz GKBDPIIKYNCNDR-BMFZPTHFSA-N 2 1 262.397 2.817 20 70 CFIDMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217697007 382787441 /nfs/dbraw/zinc/78/74/41/382787441.db2.gz GKBDPIIKYNCNDR-BMFZPTHFSA-N 2 1 262.397 2.817 20 70 CFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217759713 382788026 /nfs/dbraw/zinc/78/80/26/382788026.db2.gz LOMYESCBBCKUOP-UONOGXRCSA-N 2 1 264.413 2.643 20 70 CFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217759713 382788027 /nfs/dbraw/zinc/78/80/27/382788027.db2.gz LOMYESCBBCKUOP-UONOGXRCSA-N 2 1 264.413 2.643 20 70 CFIDMP c1cc2c(cccc2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000218109808 382789307 /nfs/dbraw/zinc/78/93/07/382789307.db2.gz PPHKIJKQBNDNEO-SJORKVTESA-N 2 1 269.392 2.884 20 70 CFIDMP c1cc2c(cccc2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[nH]1 ZINC000218109808 382789309 /nfs/dbraw/zinc/78/93/09/382789309.db2.gz PPHKIJKQBNDNEO-SJORKVTESA-N 2 1 269.392 2.884 20 70 CFIDMP Cc1ccc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000218371891 292384447 /nfs/dbraw/zinc/38/44/47/292384447.db2.gz FKDHNFDICAEESB-GUYCJALGSA-N 2 1 283.419 2.960 20 70 CFIDMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000160769039 322343094 /nfs/dbraw/zinc/34/30/94/322343094.db2.gz RQNWZNRUMJBZNJ-HUUCEWRRSA-N 2 1 294.439 2.730 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160868227 322344458 /nfs/dbraw/zinc/34/44/58/322344458.db2.gz MTKASRLHHGLLJP-IIDMSEBBSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160868227 322344462 /nfs/dbraw/zinc/34/44/62/322344462.db2.gz MTKASRLHHGLLJP-IIDMSEBBSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+](C)C)cc1 ZINC000160868227 322344463 /nfs/dbraw/zinc/34/44/63/322344463.db2.gz MTKASRLHHGLLJP-IIDMSEBBSA-N 2 1 289.467 2.567 20 70 CFIDMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160868227 322344466 /nfs/dbraw/zinc/34/44/66/322344466.db2.gz MTKASRLHHGLLJP-IIDMSEBBSA-N 2 1 289.467 2.567 20 70 CFIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCOC)C1 ZINC000161022497 322345928 /nfs/dbraw/zinc/34/59/28/322345928.db2.gz ILDMLWFCFJSSPS-GJZGRUSLSA-N 2 1 270.461 2.902 20 70 CFIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCOC)C1 ZINC000161022497 322345930 /nfs/dbraw/zinc/34/59/30/322345930.db2.gz ILDMLWFCFJSSPS-GJZGRUSLSA-N 2 1 270.461 2.902 20 70 CFIDMP CCC(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000217941756 521618187 /nfs/dbraw/zinc/61/81/87/521618187.db2.gz IHXCVSSIFXQSPM-ABFRBSLYSA-N 2 1 283.504 2.671 20 70 CFIDMP CC(C)(C)C[N@@H+](CCCO)CCC[NH+]1CCCCC1 ZINC000161350635 518662609 /nfs/dbraw/zinc/66/26/09/518662609.db2.gz DNSSBGWQCXHZBC-UHFFFAOYSA-N 2 1 270.461 2.593 20 70 CFIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048997 525680226 /nfs/dbraw/zinc/68/02/26/525680226.db2.gz KTZRRMJAVHPDAS-WOPDTQHZSA-N 2 1 253.415 2.667 20 70 CFIDMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000160643928 526339638 /nfs/dbraw/zinc/33/96/38/526339638.db2.gz FUUKSMRQEVFZKW-ZIAGYGMSSA-N 2 1 281.469 2.847 20 70 CFIDMP CCOC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161113865 528923710 /nfs/dbraw/zinc/92/37/10/528923710.db2.gz CQXBRGBUZPOOPB-MRXNPFEDSA-N 2 1 268.445 2.611 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065845 378747467 /nfs/dbraw/zinc/74/74/67/378747467.db2.gz GSMKIWLYLZYKAP-IJEWVQPXSA-N 2 1 291.439 2.687 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000160065845 378747474 /nfs/dbraw/zinc/74/74/74/378747474.db2.gz GSMKIWLYLZYKAP-IJEWVQPXSA-N 2 1 291.439 2.687 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773981 378798047 /nfs/dbraw/zinc/79/80/47/378798047.db2.gz LDQRCWZABSOUOI-MXSMSXNCSA-N 2 1 290.451 2.819 20 70 CFIDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccc2)CC1 ZINC000161443065 378847321 /nfs/dbraw/zinc/84/73/21/378847321.db2.gz KEVKMVVKCZKTLP-KRWDZBQOSA-N 2 1 287.451 2.683 20 70 CFIDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000161443065 378847328 /nfs/dbraw/zinc/84/73/28/378847328.db2.gz KEVKMVVKCZKTLP-KRWDZBQOSA-N 2 1 287.451 2.683 20 70 CFIDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000161443065 378847331 /nfs/dbraw/zinc/84/73/31/378847331.db2.gz KEVKMVVKCZKTLP-KRWDZBQOSA-N 2 1 287.451 2.683 20 70 CFIDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218116337 382789352 /nfs/dbraw/zinc/78/93/52/382789352.db2.gz REWLKOCLEMVIBG-CYBMUJFWSA-N 2 1 257.381 2.599 20 70 CFIDMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000161350193 394367126 /nfs/dbraw/zinc/36/71/26/394367126.db2.gz DEALMQKHRKFFKX-CZUORRHYSA-N 2 1 276.399 2.930 20 70 CFIDMP CCC[N@@H+](C)C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161393642 394367153 /nfs/dbraw/zinc/36/71/53/394367153.db2.gz MXFDCFLHXHIEMO-QGZVFWFLSA-N 2 1 281.488 2.526 20 70 CFIDMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000161017047 523251263 /nfs/dbraw/zinc/25/12/63/523251263.db2.gz AHHYPUKIXKFRNJ-GVDBMIGSSA-N 2 1 295.515 2.817 20 70 CFIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000161017047 523251268 /nfs/dbraw/zinc/25/12/68/523251268.db2.gz AHHYPUKIXKFRNJ-GVDBMIGSSA-N 2 1 295.515 2.817 20 70 CFIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000161017047 523251271 /nfs/dbraw/zinc/25/12/71/523251271.db2.gz AHHYPUKIXKFRNJ-GVDBMIGSSA-N 2 1 295.515 2.817 20 70 CFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159770356 524556384 /nfs/dbraw/zinc/55/63/84/524556384.db2.gz SKFLNJZNTLEZSI-BBRMVZONSA-N 2 1 264.388 2.688 20 70 CFIDMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000160396519 525375449 /nfs/dbraw/zinc/37/54/49/525375449.db2.gz PZENLXXABSUEQI-IMJJTQAJSA-N 2 1 268.445 2.512 20 70 CFIDMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCOC1 ZINC000160396909 525472085 /nfs/dbraw/zinc/47/20/85/525472085.db2.gz PZENLXXABSUEQI-KBMXLJTQSA-N 2 1 268.445 2.512 20 70 CFIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000160685535 378791722 /nfs/dbraw/zinc/79/17/22/378791722.db2.gz BFBSDHOHMTUBBF-MSOLQXFVSA-N 2 1 290.451 2.964 20 70 CFIDMP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000161275392 378835752 /nfs/dbraw/zinc/83/57/52/378835752.db2.gz QYYNBVMIZLRIBY-OAHLLOKOSA-N 2 1 262.397 2.611 20 70 CFIDMP COc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000161275392 378835759 /nfs/dbraw/zinc/83/57/59/378835759.db2.gz QYYNBVMIZLRIBY-OAHLLOKOSA-N 2 1 262.397 2.611 20 70 CFIDMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000161275392 378835768 /nfs/dbraw/zinc/83/57/68/378835768.db2.gz QYYNBVMIZLRIBY-OAHLLOKOSA-N 2 1 262.397 2.611 20 70 CFIDMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000161275392 378835777 /nfs/dbraw/zinc/83/57/77/378835777.db2.gz QYYNBVMIZLRIBY-OAHLLOKOSA-N 2 1 262.397 2.611 20 70 CFIDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131588 382789369 /nfs/dbraw/zinc/78/93/69/382789369.db2.gz SEBNJRSDKGYVBE-JQFCIGGWSA-N 2 1 286.419 2.899 20 70 CFIDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131588 382789371 /nfs/dbraw/zinc/78/93/71/382789371.db2.gz SEBNJRSDKGYVBE-JQFCIGGWSA-N 2 1 286.419 2.899 20 70 CFIDMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000160487937 523452488 /nfs/dbraw/zinc/45/24/88/523452488.db2.gz FPVYSLVNHKKHET-CQSZACIVSA-N 2 1 290.455 2.961 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065730 378747009 /nfs/dbraw/zinc/74/70/09/378747009.db2.gz GSMKIWLYLZYKAP-IIAWOOMASA-N 2 1 291.439 2.687 20 70 CFIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000160065730 378747011 /nfs/dbraw/zinc/74/70/11/378747011.db2.gz GSMKIWLYLZYKAP-IIAWOOMASA-N 2 1 291.439 2.687 20 70 CFIDMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000160251087 378758810 /nfs/dbraw/zinc/75/88/10/378758810.db2.gz IDSVQEDFPVHUIS-GXTWGEPZSA-N 2 1 282.815 2.791 20 70 CFIDMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000160251346 378759130 /nfs/dbraw/zinc/75/91/30/378759130.db2.gz IDSVQEDFPVHUIS-JSGCOSHPSA-N 2 1 282.815 2.791 20 70 CFIDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000161329626 378839333 /nfs/dbraw/zinc/83/93/33/378839333.db2.gz HNNBBESTKBSMGP-HZPDHXFCSA-N 2 1 276.424 2.694 20 70 CFIDMP COc1ccccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217661543 382787231 /nfs/dbraw/zinc/78/72/31/382787231.db2.gz WMJRUGYBOMIRJU-IMJJTQAJSA-N 2 1 274.408 2.973 20 70 CFIDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000160277037 394366062 /nfs/dbraw/zinc/36/60/62/394366062.db2.gz JEMASTHOJNSVFI-JYJNAYRXSA-N 2 1 268.445 2.656 20 70 CFIDMP COCC[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160416678 322338178 /nfs/dbraw/zinc/33/81/78/322338178.db2.gz GIOQXDXEBLQMIU-HIFRSBDPSA-N 2 1 256.434 2.512 20 70 CFIDMP CSCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000161494829 322352587 /nfs/dbraw/zinc/35/25/87/322352587.db2.gz MCHIDLFUCUNSHT-CYBMUJFWSA-N 2 1 278.465 2.906 20 70 CFIDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000160074671 521721048 /nfs/dbraw/zinc/72/10/48/521721048.db2.gz CQGRDQBODPTXEM-DOMZBBRYSA-N 2 1 298.377 2.664 20 70 CFIDMP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CC[N@H+]1C ZINC000159749004 524804476 /nfs/dbraw/zinc/80/44/76/524804476.db2.gz ZTNZXYILJZQUFA-BBRMVZONSA-N 2 1 264.388 2.831 20 70 CFIDMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217682377 525330911 /nfs/dbraw/zinc/33/09/11/525330911.db2.gz GQYPIUBPCBWKER-XKQJLSEDSA-N 2 1 274.408 2.973 20 70 CFIDMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217682377 525330922 /nfs/dbraw/zinc/33/09/22/525330922.db2.gz GQYPIUBPCBWKER-XKQJLSEDSA-N 2 1 274.408 2.973 20 70 CFIDMP C[C@@H](O)C[N@@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000160928076 296179924 /nfs/dbraw/zinc/17/99/24/296179924.db2.gz OUMIKXSFZPNESJ-MRXNPFEDSA-N 2 1 282.472 2.878 20 70 CFIDMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000160250962 378759715 /nfs/dbraw/zinc/75/97/15/378759715.db2.gz IDSVQEDFPVHUIS-TZMCWYRMSA-N 2 1 282.815 2.791 20 70 CFIDMP COc1cc(C[N@H+](C)CCC[NH+]2CCCCC2)ccc1O ZINC000160924183 378810356 /nfs/dbraw/zinc/81/03/56/378810356.db2.gz WLOPJVLLEVLUPP-UHFFFAOYSA-N 2 1 292.423 2.709 20 70 CFIDMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)ccc1O ZINC000160924183 378810363 /nfs/dbraw/zinc/81/03/63/378810363.db2.gz WLOPJVLLEVLUPP-UHFFFAOYSA-N 2 1 292.423 2.709 20 70 CFIDMP C[N@H+](CCc1ccc(F)cc1)CC[C@@H]1CCC[NH+]1C ZINC000161452508 378847690 /nfs/dbraw/zinc/84/76/90/378847690.db2.gz XHZPXBPTQACTCS-INIZCTEOSA-N 2 1 264.388 2.784 20 70 CFIDMP C[NH+](CCc1ccc(F)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000161452508 378847697 /nfs/dbraw/zinc/84/76/97/378847697.db2.gz XHZPXBPTQACTCS-INIZCTEOSA-N 2 1 264.388 2.784 20 70 CFIDMP C[NH+](CCc1ccc(F)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000161452508 378847706 /nfs/dbraw/zinc/84/77/06/378847706.db2.gz XHZPXBPTQACTCS-INIZCTEOSA-N 2 1 264.388 2.784 20 70 CFIDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000161452223 378848428 /nfs/dbraw/zinc/84/84/28/378848428.db2.gz GZXGBGFROHGYJI-UHFFFAOYSA-N 2 1 275.371 2.895 20 70 CFIDMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(F)cc1 ZINC000161452223 378848430 /nfs/dbraw/zinc/84/84/30/378848430.db2.gz GZXGBGFROHGYJI-UHFFFAOYSA-N 2 1 275.371 2.895 20 70 CFIDMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161492818 378850498 /nfs/dbraw/zinc/85/04/98/378850498.db2.gz GCHUCWTYHYSYKO-KGLIPLIRSA-N 2 1 276.424 2.871 20 70 CFIDMP CCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000217659525 382787208 /nfs/dbraw/zinc/78/72/08/382787208.db2.gz UGOSUWWEYGIGLK-CQSZACIVSA-N 2 1 264.413 2.645 20 70 CFIDMP CCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000217659525 382787209 /nfs/dbraw/zinc/78/72/09/382787209.db2.gz UGOSUWWEYGIGLK-CQSZACIVSA-N 2 1 264.413 2.645 20 70 CFIDMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1O ZINC000217916521 382788410 /nfs/dbraw/zinc/78/84/10/382788410.db2.gz HZQGAZZRTUDSFL-IRXDYDNUSA-N 2 1 288.435 2.925 20 70 CFIDMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1O ZINC000217916521 382788411 /nfs/dbraw/zinc/78/84/11/382788411.db2.gz HZQGAZZRTUDSFL-IRXDYDNUSA-N 2 1 288.435 2.925 20 70 CFIDMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(C)c1O ZINC000217916521 382788412 /nfs/dbraw/zinc/78/84/12/382788412.db2.gz HZQGAZZRTUDSFL-IRXDYDNUSA-N 2 1 288.435 2.925 20 70 CFIDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218162521 382789593 /nfs/dbraw/zinc/78/95/93/382789593.db2.gz LDNHPPBCBCAYFX-CQSZACIVSA-N 2 1 271.408 2.988 20 70 CFIDMP CC(C)COC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161494109 519751718 /nfs/dbraw/zinc/75/17/18/519751718.db2.gz PWWIKAGGKCRQKZ-OAHLLOKOSA-N 2 1 268.445 2.608 20 70 CFIDMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000217665680 521610904 /nfs/dbraw/zinc/61/09/04/521610904.db2.gz WJXVHSKWCZXSFS-IXDOHACOSA-N 2 1 281.488 2.619 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160078589 524916274 /nfs/dbraw/zinc/91/62/74/524916274.db2.gz VEUBQSJRVYEBQD-LALPHHSUSA-N 2 1 298.377 2.662 20 70 CFIDMP C[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CC[N@H+]1C ZINC000159748750 524924804 /nfs/dbraw/zinc/92/48/04/524924804.db2.gz ZTNZXYILJZQUFA-XJKSGUPXSA-N 2 1 264.388 2.831 20 70 CFIDMP CC1(C)CC([NH2+]C2CC[NH+](CC3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000159598522 348013535 /nfs/dbraw/zinc/01/35/35/348013535.db2.gz PDUGWLXCKNARHH-UHFFFAOYSA-N 3 1 293.499 2.760 20 70 CFIDMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000160673540 378791606 /nfs/dbraw/zinc/79/16/06/378791606.db2.gz WESPCSLFQNHIOG-AWEZNQCLSA-N 2 1 276.424 2.787 20 70 CFIDMP Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050291 378818455 /nfs/dbraw/zinc/81/84/55/378818455.db2.gz RQGJJSSYRWPINS-CFVMTHIKSA-N 2 1 276.428 2.617 20 70 CFIDMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000160854086 279353595 /nfs/dbraw/zinc/35/35/95/279353595.db2.gz HIRSDHJIBOWGSQ-JZXOWHBKSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000160854086 279353596 /nfs/dbraw/zinc/35/35/96/279353596.db2.gz HIRSDHJIBOWGSQ-JZXOWHBKSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000160854086 279353599 /nfs/dbraw/zinc/35/35/99/279353599.db2.gz HIRSDHJIBOWGSQ-JZXOWHBKSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000160854086 279353600 /nfs/dbraw/zinc/35/36/00/279353600.db2.gz HIRSDHJIBOWGSQ-JZXOWHBKSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000160854086 279353602 /nfs/dbraw/zinc/35/36/02/279353602.db2.gz HIRSDHJIBOWGSQ-JZXOWHBKSA-N 2 1 289.467 2.579 20 70 CFIDMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000161350326 280009625 /nfs/dbraw/zinc/00/96/25/280009625.db2.gz DEALMQKHRKFFKX-XJKSGUPXSA-N 2 1 276.399 2.930 20 70 CFIDMP CC[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000160413533 322338117 /nfs/dbraw/zinc/33/81/17/322338117.db2.gz SLVAJNZVUKNSJY-IKGGRYGDSA-N 2 1 282.472 2.902 20 70 CFIDMP C[C@@H]1SCC[N@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000161160261 534219490 /nfs/dbraw/zinc/21/94/90/534219490.db2.gz MUSPACNTITXQCK-KBPBESRZSA-N 2 1 256.459 2.688 20 70 CFIDMP C[C@@H]1SCC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000161160261 534219493 /nfs/dbraw/zinc/21/94/93/534219493.db2.gz MUSPACNTITXQCK-KBPBESRZSA-N 2 1 256.459 2.688 20 70 CFIDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000160074845 521715184 /nfs/dbraw/zinc/71/51/84/521715184.db2.gz CQGRDQBODPTXEM-IUODEOHRSA-N 2 1 298.377 2.664 20 70 CFIDMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259408 522825527 /nfs/dbraw/zinc/82/55/27/522825527.db2.gz GJVQJGGKNZHYOP-GOEBONIOSA-N 2 1 278.444 2.725 20 70 CFIDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259408 522825533 /nfs/dbraw/zinc/82/55/33/522825533.db2.gz GJVQJGGKNZHYOP-GOEBONIOSA-N 2 1 278.444 2.725 20 70 CFIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048742 525637961 /nfs/dbraw/zinc/63/79/61/525637961.db2.gz KTZRRMJAVHPDAS-UTUOFQBUSA-N 2 1 253.415 2.667 20 70 CFIDMP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000160670548 526339575 /nfs/dbraw/zinc/33/95/75/526339575.db2.gz UNMLHDMZHFLPNZ-JSGCOSHPSA-N 2 1 281.469 2.704 20 70 CFIDMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000160422227 541418975 /nfs/dbraw/zinc/41/89/75/541418975.db2.gz VDVFQNGOUAJVTJ-YJBOKZPZSA-N 3 1 295.515 2.817 20 70 CFIDMP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]cc1Br ZINC000159833172 378734211 /nfs/dbraw/zinc/73/42/11/378734211.db2.gz UXWKALOSGQTZFE-VIFPVBQESA-N 2 1 272.190 2.596 20 70 CFIDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000161329474 378839540 /nfs/dbraw/zinc/83/95/40/378839540.db2.gz HNNBBESTKBSMGP-CVEARBPZSA-N 2 1 276.424 2.694 20 70 CFIDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218116248 382789526 /nfs/dbraw/zinc/78/95/26/382789526.db2.gz REWLKOCLEMVIBG-ZDUSSCGKSA-N 2 1 257.381 2.599 20 70 CFIDMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000160047124 394365990 /nfs/dbraw/zinc/36/59/90/394365990.db2.gz LZHNARGJXZCPOM-BRWVUGGUSA-N 2 1 293.499 2.856 20 70 CFIDMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000160047124 394365991 /nfs/dbraw/zinc/36/59/91/394365991.db2.gz LZHNARGJXZCPOM-BRWVUGGUSA-N 2 1 293.499 2.856 20 70 CFIDMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000160047124 394365993 /nfs/dbraw/zinc/36/59/93/394365993.db2.gz LZHNARGJXZCPOM-BRWVUGGUSA-N 2 1 293.499 2.856 20 70 CFIDMP COCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000160101459 277239369 /nfs/dbraw/zinc/23/93/69/277239369.db2.gz KACDWDMZWHZWBD-GJZGRUSLSA-N 2 1 268.445 2.798 20 70 CFIDMP COCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000160101459 277239370 /nfs/dbraw/zinc/23/93/70/277239370.db2.gz KACDWDMZWHZWBD-GJZGRUSLSA-N 2 1 268.445 2.798 20 70 CFIDMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000159476756 322323599 /nfs/dbraw/zinc/32/35/99/322323599.db2.gz UXIDZJVCFPPLTA-DOTOQJQBSA-N 2 1 260.425 2.776 20 70 CFIDMP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CC[N@H+]1C ZINC000159748612 525435517 /nfs/dbraw/zinc/43/55/17/525435517.db2.gz ZTNZXYILJZQUFA-CZUORRHYSA-N 2 1 264.388 2.831 20 70 CFIDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160077456 529690872 /nfs/dbraw/zinc/69/08/72/529690872.db2.gz DJTHYVGSPGUDFN-WMLDXEAASA-N 2 1 260.425 2.864 20 70 CFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160077456 529690873 /nfs/dbraw/zinc/69/08/73/529690873.db2.gz DJTHYVGSPGUDFN-WMLDXEAASA-N 2 1 260.425 2.864 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773846 378798243 /nfs/dbraw/zinc/79/82/43/378798243.db2.gz LDQRCWZABSOUOI-XYVMCAHJSA-N 2 1 290.451 2.819 20 70 CFIDMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000159405614 394365656 /nfs/dbraw/zinc/36/56/56/394365656.db2.gz IWIPOTOUORYIKL-BYNSBNAKSA-N 2 1 270.486 2.981 20 70 CFIDMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000159405614 394365658 /nfs/dbraw/zinc/36/56/58/394365658.db2.gz IWIPOTOUORYIKL-BYNSBNAKSA-N 2 1 270.486 2.981 20 70 CFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160974573 394366913 /nfs/dbraw/zinc/36/69/13/394366913.db2.gz VLLLFZPGHBUGSS-QRTARXTBSA-N 2 1 258.409 2.646 20 70 CFIDMP CC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000160355450 322336994 /nfs/dbraw/zinc/33/69/94/322336994.db2.gz OFFKJUQYHHYLKH-MRXNPFEDSA-N 2 1 289.467 2.712 20 70 CFIDMP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000160769158 322343140 /nfs/dbraw/zinc/34/31/40/322343140.db2.gz RQNWZNRUMJBZNJ-LSDHHAIUSA-N 2 1 294.439 2.730 20 70 CFIDMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217645919 523945890 /nfs/dbraw/zinc/94/58/90/523945890.db2.gz ZXEXMQCXIRROAI-SJORKVTESA-N 2 1 258.409 2.965 20 70 CFIDMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217645919 523945894 /nfs/dbraw/zinc/94/58/94/523945894.db2.gz ZXEXMQCXIRROAI-SJORKVTESA-N 2 1 258.409 2.965 20 70 CFIDMP C[C@H]1C[C@@H](NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@H+]1C ZINC000160392304 524809449 /nfs/dbraw/zinc/80/94/49/524809449.db2.gz DFZNPADUUZNZCQ-XIRDDKMYSA-N 2 1 281.488 2.569 20 70 CFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159770226 524894546 /nfs/dbraw/zinc/89/45/46/524894546.db2.gz SKFLNJZNTLEZSI-CJNGLKHVSA-N 2 1 264.388 2.688 20 70 CFIDMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000160425062 525473324 /nfs/dbraw/zinc/47/33/24/525473324.db2.gz CYQPIGQAAMNVPD-PBHICJAKSA-N 2 1 282.472 2.902 20 70 CFIDMP CCCn1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000159962150 540666422 /nfs/dbraw/zinc/66/64/22/540666422.db2.gz HINSGKPYCSMEJV-OAHLLOKOSA-N 2 1 278.444 2.647 20 70 CFIDMP CCCn1nccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000159962150 540666425 /nfs/dbraw/zinc/66/64/25/540666425.db2.gz HINSGKPYCSMEJV-OAHLLOKOSA-N 2 1 278.444 2.647 20 70 CFIDMP CCCn1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000160109073 540668597 /nfs/dbraw/zinc/66/85/97/540668597.db2.gz PLFGGPXCAKDKEN-HNNXBMFYSA-N 2 1 278.444 2.505 20 70 CFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160974467 274334848 /nfs/dbraw/zinc/33/48/48/274334848.db2.gz VLLLFZPGHBUGSS-KMFMINBZSA-N 2 1 258.409 2.646 20 70 CFIDMP C[N@@H+](CCC[NH+]1CCCCC1)C(C1CC1)C1CC1 ZINC000161303200 522749189 /nfs/dbraw/zinc/74/91/89/522749189.db2.gz IHKVCULMCIKLJX-UHFFFAOYSA-N 2 1 250.430 2.983 20 70 CFIDMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000161017118 523089280 /nfs/dbraw/zinc/08/92/80/523089280.db2.gz AHHYPUKIXKFRNJ-YESZJQIVSA-N 2 1 295.515 2.817 20 70 CFIDMP CC[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000161017118 523089286 /nfs/dbraw/zinc/08/92/86/523089286.db2.gz AHHYPUKIXKFRNJ-YESZJQIVSA-N 2 1 295.515 2.817 20 70 CFIDMP CC[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000161017118 523089295 /nfs/dbraw/zinc/08/92/95/523089295.db2.gz AHHYPUKIXKFRNJ-YESZJQIVSA-N 2 1 295.515 2.817 20 70 CFIDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217697375 545508398 /nfs/dbraw/zinc/50/83/98/545508398.db2.gz BULIECZHJDYNJY-QGTPRVQTSA-N 2 1 288.435 2.843 20 70 CFIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104616 378821626 /nfs/dbraw/zinc/82/16/26/378821626.db2.gz BSXLURPWKBSSBN-UGFHNGPFSA-N 2 1 265.376 2.744 20 70 CFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)COCc1ccccc1 ZINC000161295762 378837730 /nfs/dbraw/zinc/83/77/30/378837730.db2.gz XNTQTEOTEOZBPC-NUJGCVRESA-N 2 1 290.451 2.912 20 70 CFIDMP CCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217659440 382787188 /nfs/dbraw/zinc/78/71/88/382787188.db2.gz UGOSUWWEYGIGLK-AWEZNQCLSA-N 2 1 264.413 2.645 20 70 CFIDMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217659440 382787190 /nfs/dbraw/zinc/78/71/90/382787190.db2.gz UGOSUWWEYGIGLK-AWEZNQCLSA-N 2 1 264.413 2.645 20 70 CFIDMP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217684665 382787578 /nfs/dbraw/zinc/78/75/78/382787578.db2.gz OTNOQBNXTHAQBU-JQFCIGGWSA-N 2 1 274.408 2.973 20 70 CFIDMP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217684665 382787580 /nfs/dbraw/zinc/78/75/80/382787580.db2.gz OTNOQBNXTHAQBU-JQFCIGGWSA-N 2 1 274.408 2.973 20 70 CFIDMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161492937 277925598 /nfs/dbraw/zinc/92/55/98/277925598.db2.gz GCHUCWTYHYSYKO-KBPBESRZSA-N 2 1 276.424 2.871 20 70 CFIDMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000160316495 322336470 /nfs/dbraw/zinc/33/64/70/322336470.db2.gz JEUCTSQHQOCOCB-SQWLQELKSA-N 2 1 294.414 2.913 20 70 CFIDMP CC[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCOC1 ZINC000160413826 322338130 /nfs/dbraw/zinc/33/81/30/322338130.db2.gz SLVAJNZVUKNSJY-ULQDDVLXSA-N 2 1 282.472 2.902 20 70 CFIDMP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161122791 519975846 /nfs/dbraw/zinc/97/58/46/519975846.db2.gz KMJQNSCDHJOALR-BMFZPTHFSA-N 2 1 278.444 2.987 20 70 CFIDMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161434395 522748777 /nfs/dbraw/zinc/74/87/77/522748777.db2.gz WEGMYKMAKVVBJJ-OAGGEKHMSA-N 2 1 280.456 2.608 20 70 CFIDMP CC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000161383723 523274183 /nfs/dbraw/zinc/27/41/83/523274183.db2.gz WLMWMDALUUFOHL-AWEZNQCLSA-N 2 1 256.459 2.690 20 70 CFIDMP CC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000161383723 523274190 /nfs/dbraw/zinc/27/41/90/523274190.db2.gz WLMWMDALUUFOHL-AWEZNQCLSA-N 2 1 256.459 2.690 20 70 CFIDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000160961209 525268972 /nfs/dbraw/zinc/26/89/72/525268972.db2.gz IDLBDDNBOBRTMP-KBMXLJTQSA-N 2 1 258.409 2.789 20 70 CFIDMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCOC1 ZINC000160396787 525375531 /nfs/dbraw/zinc/37/55/31/525375531.db2.gz PZENLXXABSUEQI-BPUTZDHNSA-N 2 1 268.445 2.512 20 70 CFIDMP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000160644046 526339601 /nfs/dbraw/zinc/33/96/01/526339601.db2.gz FUUKSMRQEVFZKW-KGLIPLIRSA-N 2 1 281.469 2.847 20 70 CFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160077294 529344392 /nfs/dbraw/zinc/34/43/92/529344392.db2.gz DJTHYVGSPGUDFN-RHSMWYFYSA-N 2 1 260.425 2.864 20 70 CFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160077294 529344394 /nfs/dbraw/zinc/34/43/94/529344394.db2.gz DJTHYVGSPGUDFN-RHSMWYFYSA-N 2 1 260.425 2.864 20 70 CFIDMP CC[N@@H+](C)C[C@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000160020930 378743061 /nfs/dbraw/zinc/74/30/61/378743061.db2.gz YFRILODACGUORX-MRXNPFEDSA-N 2 1 288.435 2.841 20 70 CFIDMP c1cc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2[nH]1 ZINC000218104325 382789375 /nfs/dbraw/zinc/78/93/75/382789375.db2.gz MWKSVXGQTJFVLH-CYBMUJFWSA-N 2 1 269.392 2.742 20 70 CFIDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000160664039 394366840 /nfs/dbraw/zinc/36/68/40/394366840.db2.gz GIBYROAHFPGCSV-HUUCEWRRSA-N 2 1 296.480 2.944 20 70 CFIDMP CC(C)=CCC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160689876 322341833 /nfs/dbraw/zinc/34/18/33/322341833.db2.gz AUYKQVOISNYYDW-IAGOWNOFSA-N 2 1 282.472 2.948 20 70 CFIDMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000160396648 525472855 /nfs/dbraw/zinc/47/28/55/525472855.db2.gz PZENLXXABSUEQI-BMFZPTHFSA-N 2 1 268.445 2.512 20 70 CFIDMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2[nH]1 ZINC000218114192 526449491 /nfs/dbraw/zinc/44/94/91/526449491.db2.gz VQVAROVVPDZSND-JKSUJKDBSA-N 2 1 269.392 2.884 20 70 CFIDMP C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000161451275 527482348 /nfs/dbraw/zinc/48/23/48/527482348.db2.gz RREYUWXHEOGZOB-IYBDPMFKSA-N 2 1 250.430 2.984 20 70 CFIDMP C[NH+](C)CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160665018 232249048 /nfs/dbraw/zinc/24/90/48/232249048.db2.gz CKZIIIQKLGMYHN-UHFFFAOYSA-N 2 1 281.488 2.526 20 70 CFIDMP c1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000161505802 378853081 /nfs/dbraw/zinc/85/30/81/378853081.db2.gz NYTVBMOXUQMPAA-QGZVFWFLSA-N 2 1 258.409 2.962 20 70 CFIDMP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335863 /nfs/dbraw/zinc/33/58/63/322335863.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 3 1 281.488 2.571 20 70 CFIDMP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335865 /nfs/dbraw/zinc/33/58/65/322335865.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 3 1 281.488 2.571 20 70 CFIDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440437 382786895 /nfs/dbraw/zinc/78/68/95/382786895.db2.gz PURYOPZTMZKRHJ-WOSRLPQWSA-N 2 1 292.423 2.522 20 70 CFIDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440437 382786897 /nfs/dbraw/zinc/78/68/97/382786897.db2.gz PURYOPZTMZKRHJ-WOSRLPQWSA-N 2 1 292.423 2.522 20 70 CFIDMP COCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000160101605 285132484 /nfs/dbraw/zinc/13/24/84/285132484.db2.gz KACDWDMZWHZWBD-CABCVRRESA-N 2 1 268.445 2.798 20 70 CFIDMP COCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000160101605 285132485 /nfs/dbraw/zinc/13/24/85/285132485.db2.gz KACDWDMZWHZWBD-CABCVRRESA-N 2 1 268.445 2.798 20 70 CFIDMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335850 /nfs/dbraw/zinc/33/58/50/322335850.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 2 1 281.488 2.571 20 70 CFIDMP CC[NH+]1CC[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335852 /nfs/dbraw/zinc/33/58/52/322335852.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 2 1 281.488 2.571 20 70 CFIDMP CC[NH+]1CC[C@H](NCCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335855 /nfs/dbraw/zinc/33/58/55/322335855.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 2 1 281.488 2.571 20 70 CFIDMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335858 /nfs/dbraw/zinc/33/58/58/322335858.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 3 1 281.488 2.571 20 70 CFIDMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160262577 322335860 /nfs/dbraw/zinc/33/58/60/322335860.db2.gz KQWLBLNWSISETH-IKGGRYGDSA-N 3 1 281.488 2.571 20 70 CFIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000161481084 322352332 /nfs/dbraw/zinc/35/23/32/322352332.db2.gz PMVSVXGKFYYRDX-LLVKDONJSA-N 2 1 264.438 2.982 20 70 CFIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000161014964 523249745 /nfs/dbraw/zinc/24/97/45/523249745.db2.gz MYBXBLJOMPCEBN-ARFHVFGLSA-N 2 1 282.472 2.902 20 70 CFIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000161014964 523249757 /nfs/dbraw/zinc/24/97/57/523249757.db2.gz MYBXBLJOMPCEBN-ARFHVFGLSA-N 2 1 282.472 2.902 20 70 CFIDMP CCn1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000160488030 523468920 /nfs/dbraw/zinc/46/89/20/523468920.db2.gz FPVYSLVNHKKHET-AWEZNQCLSA-N 2 1 290.455 2.961 20 70 CFIDMP C[C@H]1C[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@H+]1C ZINC000160392062 524923499 /nfs/dbraw/zinc/92/34/99/524923499.db2.gz DFZNPADUUZNZCQ-UAGQMJEPSA-N 2 1 281.488 2.569 20 70 CFIDMP CCC[N@@H+](CC)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000217732032 283173560 /nfs/dbraw/zinc/17/35/60/283173560.db2.gz NFOOHGLECVZTPI-CVEARBPZSA-N 2 1 269.477 2.619 20 70 CFIDMP C[C@H]1SCC[N@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000161160455 291260333 /nfs/dbraw/zinc/26/03/33/291260333.db2.gz MUSPACNTITXQCK-UONOGXRCSA-N 2 1 256.459 2.688 20 70 CFIDMP C[C@H]1SCC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1C ZINC000161160455 291260335 /nfs/dbraw/zinc/26/03/35/291260335.db2.gz MUSPACNTITXQCK-UONOGXRCSA-N 2 1 256.459 2.688 20 70 CFIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160621903 378785542 /nfs/dbraw/zinc/78/55/42/378785542.db2.gz YFSYMZXKGZDVJS-LBPRGKRZSA-N 2 1 273.380 2.602 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160773688 378798297 /nfs/dbraw/zinc/79/82/97/378798297.db2.gz LDQRCWZABSOUOI-FZCLSBEQSA-N 2 1 290.451 2.819 20 70 CFIDMP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217684504 382787525 /nfs/dbraw/zinc/78/75/25/382787525.db2.gz OTNOQBNXTHAQBU-XKQJLSEDSA-N 2 1 274.408 2.973 20 70 CFIDMP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217684504 382787528 /nfs/dbraw/zinc/78/75/28/382787528.db2.gz OTNOQBNXTHAQBU-XKQJLSEDSA-N 2 1 274.408 2.973 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131407 382789458 /nfs/dbraw/zinc/78/94/58/382789458.db2.gz SEBNJRSDKGYVBE-XKQJLSEDSA-N 2 1 286.419 2.899 20 70 CFIDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131407 382789460 /nfs/dbraw/zinc/78/94/60/382789460.db2.gz SEBNJRSDKGYVBE-XKQJLSEDSA-N 2 1 286.419 2.899 20 70 CFIDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000160630059 522647409 /nfs/dbraw/zinc/64/74/09/522647409.db2.gz HKXVPVOFAQBWDY-SFHVURJKSA-N 2 1 288.435 2.797 20 70 CFIDMP Cc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)nc1 ZINC000159967350 524439300 /nfs/dbraw/zinc/43/93/00/524439300.db2.gz BLNBVNMIUWTSFG-UHFFFAOYSA-N 2 1 284.407 2.578 20 70 CFIDMP c1cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109357 526449721 /nfs/dbraw/zinc/44/97/21/526449721.db2.gz MYOQIJPKIRCXTL-HOTGVXAUSA-N 2 1 269.392 2.884 20 70 CFIDMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109357 526449724 /nfs/dbraw/zinc/44/97/24/526449724.db2.gz MYOQIJPKIRCXTL-HOTGVXAUSA-N 2 1 269.392 2.884 20 70 CFIDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000160498811 378777650 /nfs/dbraw/zinc/77/76/50/378777650.db2.gz VRFLOKUSQORCIK-GOSISDBHSA-N 2 1 288.435 2.797 20 70 CFIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160621797 378785490 /nfs/dbraw/zinc/78/54/90/378785490.db2.gz YFSYMZXKGZDVJS-GFCCVEGCSA-N 2 1 273.380 2.602 20 70 CFIDMP [NH3+]CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000217257047 382785927 /nfs/dbraw/zinc/78/59/27/382785927.db2.gz CIVNWKPZHDUDPW-UHFFFAOYSA-N 2 1 297.240 2.977 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000160477529 394366526 /nfs/dbraw/zinc/36/65/26/394366526.db2.gz WQFFVTFWECRWJF-RVKKMQEKSA-N 2 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477529 394366527 /nfs/dbraw/zinc/36/65/27/394366527.db2.gz WQFFVTFWECRWJF-RVKKMQEKSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000160477529 394366529 /nfs/dbraw/zinc/36/65/29/394366529.db2.gz WQFFVTFWECRWJF-RVKKMQEKSA-N 3 1 293.499 2.712 20 70 CFIDMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000161350458 394367143 /nfs/dbraw/zinc/36/71/43/394367143.db2.gz DEALMQKHRKFFKX-CJNGLKHVSA-N 2 1 276.399 2.930 20 70 CFIDMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000160686121 286279069 /nfs/dbraw/zinc/27/90/69/286279069.db2.gz DIZIAYMVQKQBDX-HUUCEWRRSA-N 2 1 280.456 2.798 20 70 CFIDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000159450618 322323004 /nfs/dbraw/zinc/32/30/04/322323004.db2.gz CAOVVNCVIPSVTL-IUODEOHRSA-N 2 1 255.365 2.546 20 70 CFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160402080 322337500 /nfs/dbraw/zinc/33/75/00/322337500.db2.gz ZAYRNOFDPJYZBX-LMSBXDPUSA-N 2 1 295.515 2.815 20 70 CFIDMP