smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)COc1ccc([C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000159653682 186133165 /nfs/dbraw/zinc/13/31/65/186133165.db2.gz VIHXAIGSHDOWHG-HNNXBMFYSA-N 1 0 318.461 3.240 10 70 DGIERO CCc1ccc([C@H](C)CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161328722 197485413 /nfs/dbraw/zinc/48/54/13/197485413.db2.gz LFYGHFHRXRZQLO-QXGIVVGOSA-N 1 0 314.473 3.484 10 70 DGIERO CN(CCOc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160142882 197388986 /nfs/dbraw/zinc/38/89/86/197388986.db2.gz OVXBVMZWNBLOPQ-CYBMUJFWSA-N 1 0 303.233 3.041 10 70 DGIERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000159765231 197362850 /nfs/dbraw/zinc/36/28/50/197362850.db2.gz UKIHNUXJYNSYSD-KRWDZBQOSA-N 1 0 323.440 3.397 10 70 DGIERO CC[N@H+](CCOc1cccc(OC)c1)CCc1nccs1 ZINC000159441518 197353853 /nfs/dbraw/zinc/35/38/53/197353853.db2.gz MHOTVCQWWFGQDX-UHFFFAOYSA-N 1 0 306.431 3.095 10 70 DGIERO CCCC(O)(CCC)CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161496429 278661730 /nfs/dbraw/zinc/66/17/30/278661730.db2.gz RGHTYDPEHXEFJM-KRWDZBQOSA-N 1 0 324.509 3.185 10 70 DGIERO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000161056274 432756300 /nfs/dbraw/zinc/75/63/00/432756300.db2.gz MGYJJFYEIRKEDB-SJORKVTESA-N 1 0 320.864 3.292 10 70 DGIERO COCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161072539 432757771 /nfs/dbraw/zinc/75/77/71/432757771.db2.gz SVFUIVRONYPDLY-LSDHHAIUSA-N 1 0 317.351 3.240 10 70 DGIERO Cc1noc(C)c1[C@@H](C)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161228729 432768644 /nfs/dbraw/zinc/76/86/44/432768644.db2.gz XFGFLGBMSDTBFG-JQRITLKVSA-N 1 0 321.465 3.022 10 70 DGIERO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000161246884 432768660 /nfs/dbraw/zinc/76/86/60/432768660.db2.gz LBBSVLHZOMPEFF-VQIMIIECSA-N 1 0 320.452 3.464 10 70 DGIERO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 ZINC000161285737 432771896 /nfs/dbraw/zinc/77/18/96/432771896.db2.gz PAWCTTJHTVXKHQ-INIZCTEOSA-N 1 0 323.440 3.285 10 70 DGIERO COc1ccccc1[C@@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160788234 432741007 /nfs/dbraw/zinc/74/10/07/432741007.db2.gz KIVLQMMFQHJSFB-CYBMUJFWSA-N 1 0 303.406 3.485 10 70 DGIERO CC[N@H+](CCC(=O)N(C)c1ccccc1)CCc1nccs1 ZINC000159442260 546053154 /nfs/dbraw/zinc/05/31/54/546053154.db2.gz CKIVROOJTBKABY-UHFFFAOYSA-N 1 0 317.458 3.061 10 70 DGIERO Brc1ccc(C[NH2+][C@H]2CCCOC2)c2ncccc12 ZINC000160326679 546059674 /nfs/dbraw/zinc/05/96/74/546059674.db2.gz IXOUXOALONRJMV-LBPRGKRZSA-N 1 0 321.218 3.266 10 70 DGIERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160338913 546060093 /nfs/dbraw/zinc/06/00/93/546060093.db2.gz ZJMJEWVGOVFZKC-IINYFYTJSA-N 1 0 321.218 3.264 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000161225442 529508131 /nfs/dbraw/zinc/50/81/31/529508131.db2.gz FIKXJZVIMAYVCF-MRXNPFEDSA-N 1 0 313.463 3.019 10 70 DGIERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000159782882 197364056 /nfs/dbraw/zinc/36/40/56/197364056.db2.gz WQWJRXVNHVWLJH-SECBINFHSA-N 1 0 301.287 3.429 10 70 DGIERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159503482 197358346 /nfs/dbraw/zinc/35/83/46/197358346.db2.gz VRODINMECLDELA-ZDUSSCGKSA-N 1 0 324.852 3.402 10 70 DGIERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)c3ccc(C)cc3)C2)c1 ZINC000159467248 197356100 /nfs/dbraw/zinc/35/61/00/197356100.db2.gz IVOKHCZRIWFMIO-GOSISDBHSA-N 1 0 311.429 3.410 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000159387066 432681093 /nfs/dbraw/zinc/68/10/93/432681093.db2.gz RPVQUOJSCDYLIX-KSSFIOAISA-N 1 0 307.434 3.296 10 70 DGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565408 432687239 /nfs/dbraw/zinc/68/72/39/432687239.db2.gz NMEQBBOJNUMBRX-ONGXEEELSA-N 1 0 301.217 3.079 10 70 DGIERO CC(C)C(=O)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160886358 432747073 /nfs/dbraw/zinc/74/70/73/432747073.db2.gz XETYHLXXPXDWDY-UHFFFAOYSA-N 1 0 312.816 3.216 10 70 DGIERO COCC[N@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC000160964170 432751618 /nfs/dbraw/zinc/75/16/18/432751618.db2.gz VOQWXJUSDCJCBY-UHFFFAOYSA-N 1 0 314.429 3.356 10 70 DGIERO CC(C)(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccc(F)c1 ZINC000161196414 432764861 /nfs/dbraw/zinc/76/48/61/432764861.db2.gz HUAGCILSJFKSGW-COXVUDFISA-N 1 0 318.436 3.140 10 70 DGIERO CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161429212 432777765 /nfs/dbraw/zinc/77/77/65/432777765.db2.gz WHLZAZKCAGESJC-ZBBUEOHVSA-N 1 0 318.383 3.097 10 70 DGIERO CCC[C@H](C(=O)N(C)Cc1ccccc1C(F)(F)F)[NH+](C)C ZINC000161413466 432778672 /nfs/dbraw/zinc/77/86/72/432778672.db2.gz OSCGZPDXJKTQID-CQSZACIVSA-N 1 0 316.367 3.394 10 70 DGIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160577356 432728231 /nfs/dbraw/zinc/72/82/31/432728231.db2.gz UFVNXKRVZYCVEK-XNRPHZJLSA-N 1 0 322.399 3.059 10 70 DGIERO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000160560717 432729531 /nfs/dbraw/zinc/72/95/31/432729531.db2.gz ZMXVCKJWGIVTHN-CQSZACIVSA-N 1 0 323.412 3.076 10 70 DGIERO Fc1cc(Cl)ccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000160666254 432733589 /nfs/dbraw/zinc/73/35/89/432733589.db2.gz SYBPIZMVPMGZGS-ZDUSSCGKSA-N 1 0 307.752 3.409 10 70 DGIERO COc1ccc(C[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1OC ZINC000159387769 292791824 /nfs/dbraw/zinc/79/18/24/292791824.db2.gz WQCGBAYCXIZABP-KXBFYZLASA-N 1 0 323.477 3.412 10 70 DGIERO CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159531292 292794528 /nfs/dbraw/zinc/79/45/28/292794528.db2.gz BOEPDRCHLKUCCZ-INIZCTEOSA-N 1 0 318.461 3.385 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000159397528 519695991 /nfs/dbraw/zinc/69/59/91/519695991.db2.gz KZFPAPUQXLONMZ-DAESXHAQSA-N 1 0 311.491 3.262 10 70 DGIERO CCOC[C@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000161328578 529007913 /nfs/dbraw/zinc/00/79/13/529007913.db2.gz ANLYQPIDDGFCEF-DTWKUNHWSA-N 1 0 310.196 3.181 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000160996234 529508041 /nfs/dbraw/zinc/50/80/41/529508041.db2.gz FZSDRNOCXQJTNT-CQSZACIVSA-N 1 0 300.240 3.084 10 70 DGIERO COc1cccc(CCC[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000160065523 197383786 /nfs/dbraw/zinc/38/37/86/197383786.db2.gz VNUHAHXLNKBPKY-UHFFFAOYSA-N 1 0 313.445 3.241 10 70 DGIERO Cc1ccc([C@@H](C)NC(=O)N2CCC(CCC[NH+](C)C)CC2)o1 ZINC000159900882 197371557 /nfs/dbraw/zinc/37/15/57/197371557.db2.gz RLXWIJANQHSCJB-OAHLLOKOSA-N 1 0 321.465 3.412 10 70 DGIERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)c3ccc(C)cc3)C2)c1 ZINC000159467097 197356324 /nfs/dbraw/zinc/35/63/24/197356324.db2.gz IVOKHCZRIWFMIO-SFHVURJKSA-N 1 0 311.429 3.410 10 70 DGIERO CS(=O)(=O)CCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000161351795 400739936 /nfs/dbraw/zinc/73/99/36/400739936.db2.gz KOYXJEIRKLYBCX-OAHLLOKOSA-N 1 0 315.866 3.206 10 70 DGIERO Cc1cccc(NC(=O)CN(CCc2nccs2)C(C)C)c1 ZINC000159862608 432698599 /nfs/dbraw/zinc/69/85/99/432698599.db2.gz NJVVGPUGVTULLE-UHFFFAOYSA-N 1 0 317.458 3.343 10 70 DGIERO CO[C@]1(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)CCOC1 ZINC000160099100 432706180 /nfs/dbraw/zinc/70/61/80/432706180.db2.gz YBYZDHPMKKOBQW-RISCZKNCSA-N 1 0 301.839 3.174 10 70 DGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC000160403883 432718542 /nfs/dbraw/zinc/71/85/42/432718542.db2.gz WYOGFNCQXOIQLN-RHSMWYFYSA-N 1 0 306.425 3.166 10 70 DGIERO C[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000159378924 432682003 /nfs/dbraw/zinc/68/20/03/432682003.db2.gz AEGNOGLVBGIUSU-HXUWFJFHSA-N 1 0 312.457 3.024 10 70 DGIERO C[C@@H](c1ccncc1)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161186980 432765688 /nfs/dbraw/zinc/76/56/88/432765688.db2.gz YNLYWXJFZIZXAB-HNNXBMFYSA-N 1 0 301.409 3.346 10 70 DGIERO CC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(F)cc1F ZINC000161207126 432767286 /nfs/dbraw/zinc/76/72/86/432767286.db2.gz ONRAAUXJSBJCHB-SPOWBLRKSA-N 1 0 322.399 3.453 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000161267225 432769331 /nfs/dbraw/zinc/76/93/31/432769331.db2.gz NXTLWHKIJCLXDW-UONOGXRCSA-N 1 0 302.397 3.378 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000161308631 432770968 /nfs/dbraw/zinc/77/09/68/432770968.db2.gz JJIKKSVVRVQXMK-CQSZACIVSA-N 1 0 304.825 3.331 10 70 DGIERO CCC[C@@H](C(=O)N1CCC(Oc2ccc(C)cc2)CC1)[NH+](C)C ZINC000160573796 432728725 /nfs/dbraw/zinc/72/87/25/432728725.db2.gz KMDKUVYJVAYJHW-SFHVURJKSA-N 1 0 318.461 3.095 10 70 DGIERO Fc1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160592303 432730202 /nfs/dbraw/zinc/73/02/02/432730202.db2.gz OCNNXSABOWHWMD-MRXNPFEDSA-N 1 0 314.408 3.481 10 70 DGIERO [NH3+]CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160831272 432743976 /nfs/dbraw/zinc/74/39/76/432743976.db2.gz OQFRISSSQQVZJY-AWEZNQCLSA-N 1 0 316.367 3.185 10 70 DGIERO Cc1cc(C)cc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000159458460 292793084 /nfs/dbraw/zinc/79/30/84/292793084.db2.gz GDDUHMGNCOFRBG-UHFFFAOYSA-N 1 0 314.395 3.462 10 70 DGIERO CCC[C@@H](C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000161222927 546067438 /nfs/dbraw/zinc/06/74/38/546067438.db2.gz IIFMIRQZDOMFML-AWEZNQCLSA-N 1 0 316.367 3.394 10 70 DGIERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160024323 197380570 /nfs/dbraw/zinc/38/05/70/197380570.db2.gz XIGLABBVXLWLEC-SFHVURJKSA-N 1 0 311.429 3.237 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)Cc1nc(-c2ccoc2)no1 ZINC000159860913 432699603 /nfs/dbraw/zinc/69/96/03/432699603.db2.gz SMLHFDWHIRNBGP-UHFFFAOYSA-N 1 0 318.402 3.239 10 70 DGIERO CC(C)n1cc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)cn1 ZINC000160092545 432707355 /nfs/dbraw/zinc/70/73/55/432707355.db2.gz QOHHPKDTDSMKCH-LBPRGKRZSA-N 1 0 309.360 3.472 10 70 DGIERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000159477794 432685702 /nfs/dbraw/zinc/68/57/02/432685702.db2.gz DNYQMMMSZUTFQW-KGLIPLIRSA-N 1 0 304.438 3.304 10 70 DGIERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159549163 432687290 /nfs/dbraw/zinc/68/72/90/432687290.db2.gz XYMJHSIYIDWTKI-GFCCVEGCSA-N 1 0 323.506 3.412 10 70 DGIERO COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCCC1)CCCO2 ZINC000159582278 432687775 /nfs/dbraw/zinc/68/77/75/432687775.db2.gz SMFBTVRMRAGPFJ-SFHVURJKSA-N 1 0 318.461 3.375 10 70 DGIERO CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(F)cc1 ZINC000161020127 432754268 /nfs/dbraw/zinc/75/42/68/432754268.db2.gz BGRMQIIZSQVZRF-RRQGHBQHSA-N 1 0 306.425 3.164 10 70 DGIERO CCOc1ccccc1C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000161046986 432756509 /nfs/dbraw/zinc/75/65/09/432756509.db2.gz WCNWMUPXPGJYNA-HNNXBMFYSA-N 1 0 315.417 3.231 10 70 DGIERO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000161056529 432756629 /nfs/dbraw/zinc/75/66/29/432756629.db2.gz MGYJJFYEIRKEDB-IRXDYDNUSA-N 1 0 320.864 3.292 10 70 DGIERO CC[C@](C)(O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000161037288 432756662 /nfs/dbraw/zinc/75/66/62/432756662.db2.gz DWEKRTYNUUBYBS-SJORKVTESA-N 1 0 311.853 3.246 10 70 DGIERO CCC[C@H](C(=O)Nc1ccc(Br)cc1C)[NH+](C)C ZINC000161219096 432766736 /nfs/dbraw/zinc/76/67/36/432766736.db2.gz GDAJOUYQHDUWEC-CYBMUJFWSA-N 1 0 313.239 3.426 10 70 DGIERO CC1CCC(N(C[C@@H]2CCCO2)C(=O)CCCCCC[NH3+])CC1 ZINC000161222133 432766969 /nfs/dbraw/zinc/76/69/69/432766969.db2.gz MKXUOUISVHFXAG-ABHNRTSZSA-N 1 0 324.509 3.482 10 70 DGIERO CC(C)c1nc([C@@H]2CCCN2CCC[NH+]2CCCCC2)no1 ZINC000161309348 432773850 /nfs/dbraw/zinc/77/38/50/432773850.db2.gz INXZUSOVRDPLGR-HNNXBMFYSA-N 1 0 306.454 3.206 10 70 DGIERO CC[C@H](C)[N@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000161393289 432776761 /nfs/dbraw/zinc/77/67/61/432776761.db2.gz CRYHQJZIWVXJFY-ZDUSSCGKSA-N 1 0 301.434 3.245 10 70 DGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533705 432727392 /nfs/dbraw/zinc/72/73/92/432727392.db2.gz OWXATTCMDFZZDE-NXEZZACHSA-N 1 0 301.217 3.079 10 70 DGIERO CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000160702583 432735239 /nfs/dbraw/zinc/73/52/39/432735239.db2.gz LRSISLSAQCFBIJ-DLBZAZTESA-N 1 0 306.425 3.262 10 70 DGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCOCCc1ccccc1)CC2 ZINC000160748714 432739573 /nfs/dbraw/zinc/73/95/73/432739573.db2.gz ZXHKMPPXGLHYPW-WOJBJXKFSA-N 1 0 317.473 3.263 10 70 DGIERO CCc1oc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1C ZINC000159842823 292801488 /nfs/dbraw/zinc/80/14/88/292801488.db2.gz KHIPLTOFBVZJBB-OAHLLOKOSA-N 1 0 300.402 3.183 10 70 DGIERO COc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1Cl ZINC000160244930 292810873 /nfs/dbraw/zinc/81/08/73/292810873.db2.gz AWGOPRULKNRFGW-CYBMUJFWSA-N 1 0 312.841 3.055 10 70 DGIERO CC[C@@H](C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1)[NH+](C)C ZINC000160477472 521819031 /nfs/dbraw/zinc/81/90/31/521819031.db2.gz KHUTUCARKAHKNJ-ZFWWWQNUSA-N 1 0 323.506 3.313 10 70 DGIERO C(CNC1(c2noc(C3CC3)n2)CCCC1)C[NH+]1CCCCC1 ZINC000161308057 527484862 /nfs/dbraw/zinc/48/48/62/527484862.db2.gz GQLBNWMPVYPWAY-UHFFFAOYSA-N 1 0 318.465 3.182 10 70 DGIERO CCC[C@H](C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000161223053 546066640 /nfs/dbraw/zinc/06/66/40/546066640.db2.gz IIFMIRQZDOMFML-CQSZACIVSA-N 1 0 316.367 3.394 10 70 DGIERO COc1cccc(OCC[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159957318 432702828 /nfs/dbraw/zinc/70/28/28/432702828.db2.gz FHVNKJYTCAZCOU-UHFFFAOYSA-N 1 0 320.458 3.484 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000159387314 432682500 /nfs/dbraw/zinc/68/25/00/432682500.db2.gz RPVQUOJSCDYLIX-KDOFPFPSSA-N 1 0 307.434 3.296 10 70 DGIERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000159424481 432683064 /nfs/dbraw/zinc/68/30/64/432683064.db2.gz QXPBWVBGQGMTNE-QFBILLFUSA-N 1 0 320.477 3.205 10 70 DGIERO CCC(C)(C)c1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000159566184 432686734 /nfs/dbraw/zinc/68/67/34/432686734.db2.gz HRQOIIMLRIPTST-UHFFFAOYSA-N 1 0 317.477 3.268 10 70 DGIERO COc1ccc(OCCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160968185 432751338 /nfs/dbraw/zinc/75/13/38/432751338.db2.gz HTNVNUQFMQONIJ-VQIMIIECSA-N 1 0 319.445 3.091 10 70 DGIERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000161003537 432754827 /nfs/dbraw/zinc/75/48/27/432754827.db2.gz MWFVTMZDRZPSDW-CQSZACIVSA-N 1 0 306.768 3.335 10 70 DGIERO CCC[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)[NH+](C)C ZINC000161411959 432777605 /nfs/dbraw/zinc/77/76/05/432777605.db2.gz UWACPKCRPRGHBP-GFCCVEGCSA-N 1 0 304.312 3.254 10 70 DGIERO CCc1oc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000159639332 292796979 /nfs/dbraw/zinc/79/69/79/292796979.db2.gz PLVGCSMFKAQFQX-OAHLLOKOSA-N 1 0 318.392 3.322 10 70 DGIERO CCc1cccc(CC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000160958372 292825297 /nfs/dbraw/zinc/82/52/97/292825297.db2.gz IBYKUVFHWLCBDR-UHFFFAOYSA-N 1 0 314.473 3.315 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000160720062 529373140 /nfs/dbraw/zinc/37/31/40/529373140.db2.gz IBTXDPDMAOCQGR-ZDUSSCGKSA-N 1 0 304.203 3.181 10 70 DGIERO Cc1nc(Cl)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000159554623 186127114 /nfs/dbraw/zinc/12/71/14/186127114.db2.gz JWNHJJMVVDXTSL-KGLIPLIRSA-N 1 0 321.852 3.131 10 70 DGIERO Cc1ccccc1NC(=O)CN(CCc1nccs1)C(C)C ZINC000159866447 432699943 /nfs/dbraw/zinc/69/99/43/432699943.db2.gz HYLMHFQYVWNINC-UHFFFAOYSA-N 1 0 317.458 3.343 10 70 DGIERO C[N@@H+]1CCC[C@H]2CN(c3ccnc4c(F)cc(F)cc34)CC[C@@H]21 ZINC000159998864 432703718 /nfs/dbraw/zinc/70/37/18/432703718.db2.gz GHURGFSAPCLLPR-LRDDRELGSA-N 1 0 317.383 3.434 10 70 DGIERO C[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000159569288 432687032 /nfs/dbraw/zinc/68/70/32/432687032.db2.gz HGUMCJBABVYSTG-QGZVFWFLSA-N 1 0 315.461 3.094 10 70 DGIERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000161003641 432754809 /nfs/dbraw/zinc/75/48/09/432754809.db2.gz MWFVTMZDRZPSDW-AWEZNQCLSA-N 1 0 306.768 3.335 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000161039812 432756594 /nfs/dbraw/zinc/75/65/94/432756594.db2.gz VFISYXUXCVXGMP-SFHVURJKSA-N 1 0 319.424 3.241 10 70 DGIERO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 ZINC000161285830 432771624 /nfs/dbraw/zinc/77/16/24/432771624.db2.gz PAWCTTJHTVXKHQ-MRXNPFEDSA-N 1 0 323.440 3.285 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000161295984 432771778 /nfs/dbraw/zinc/77/17/78/432771778.db2.gz DGNKUGXXSVGQAJ-ZFWWWQNUSA-N 1 0 302.397 3.378 10 70 DGIERO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000161395405 432775812 /nfs/dbraw/zinc/77/58/12/432775812.db2.gz MFFDTRXQLIVWFI-YVEFUNNKSA-N 1 0 313.445 3.243 10 70 DGIERO CSc1ccc(C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161453245 432780435 /nfs/dbraw/zinc/78/04/35/432780435.db2.gz KQJWXGOZVCBFPJ-PBWFPOADSA-N 1 0 304.459 3.072 10 70 DGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533855 432727449 /nfs/dbraw/zinc/72/74/49/432727449.db2.gz OWXATTCMDFZZDE-VHSXEESVSA-N 1 0 301.217 3.079 10 70 DGIERO C[C@]1(CNc2ncc(F)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160800239 432743001 /nfs/dbraw/zinc/74/30/01/432743001.db2.gz GMFCSEOSRGCRDL-QGZVFWFLSA-N 1 0 300.381 3.082 10 70 DGIERO CC(C)c1noc(CCC[NH2+][C@H](C)c2cnn(C(C)C)c2)n1 ZINC000160821772 432743699 /nfs/dbraw/zinc/74/36/99/432743699.db2.gz ZIEPNKDMNMHBHN-CYBMUJFWSA-N 1 0 305.426 3.254 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000159424339 292792451 /nfs/dbraw/zinc/79/24/51/292792451.db2.gz QXPBWVBGQGMTNE-LPHOPBHVSA-N 1 0 320.477 3.205 10 70 DGIERO COc1ccccc1[C@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160788130 524780590 /nfs/dbraw/zinc/78/05/90/524780590.db2.gz KIVLQMMFQHJSFB-ZDUSSCGKSA-N 1 0 303.406 3.485 10 70 DGIERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(F)c1 ZINC000159794498 197365289 /nfs/dbraw/zinc/36/52/89/197365289.db2.gz MOVMUZBJOUDNOK-SECBINFHSA-N 1 0 301.287 3.429 10 70 DGIERO CC(C)CSCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160709073 400734634 /nfs/dbraw/zinc/73/46/34/400734634.db2.gz GLLWZZVGXZSVKO-QGZVFWFLSA-N 1 0 322.518 3.055 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCC1CCCCC1 ZINC000159840531 432697061 /nfs/dbraw/zinc/69/70/61/432697061.db2.gz FCXLCUCSXSACCR-UHFFFAOYSA-N 1 0 323.506 3.093 10 70 DGIERO CO[C@@]1(C[NH2+][C@H]2CCCc3sc(Cl)cc32)CCOC1 ZINC000160099493 432706454 /nfs/dbraw/zinc/70/64/54/432706454.db2.gz YBYZDHPMKKOBQW-SMDDNHRTSA-N 1 0 301.839 3.174 10 70 DGIERO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000160420606 432719783 /nfs/dbraw/zinc/71/97/83/432719783.db2.gz KBXQVIFBEATCBL-XYPHTWIQSA-N 1 0 306.425 3.260 10 70 DGIERO C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160512266 432724382 /nfs/dbraw/zinc/72/43/82/432724382.db2.gz JGMFQYAAQHUSDT-PBFPGSCMSA-N 1 0 307.438 3.055 10 70 DGIERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccn1 ZINC000159366208 432681308 /nfs/dbraw/zinc/68/13/08/432681308.db2.gz XJHGFKHKZYJZPZ-QWHCGFSZSA-N 1 0 302.809 3.060 10 70 DGIERO CC[N@H+](CCc1nccs1)Cc1cc(C(=O)OC)sc1C ZINC000159409864 432681754 /nfs/dbraw/zinc/68/17/54/432681754.db2.gz YLTBOTOLWZHZTK-UHFFFAOYSA-N 1 0 324.471 3.364 10 70 DGIERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159549287 432687323 /nfs/dbraw/zinc/68/73/23/432687323.db2.gz XYMJHSIYIDWTKI-LBPRGKRZSA-N 1 0 323.506 3.412 10 70 DGIERO COCCOc1ccccc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161148750 432763718 /nfs/dbraw/zinc/76/37/18/432763718.db2.gz PGTCLKIAIYEFFH-UHFFFAOYSA-N 1 0 303.377 3.483 10 70 DGIERO C[C@H](c1cccnc1)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161188664 432764405 /nfs/dbraw/zinc/76/44/05/432764405.db2.gz SIDCYSQHLAZLCS-OAHLLOKOSA-N 1 0 301.409 3.346 10 70 DGIERO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000161384170 432776913 /nfs/dbraw/zinc/77/69/13/432776913.db2.gz FOOXEBJNQQQNEL-OKZBNKHCSA-N 1 0 302.462 3.292 10 70 DGIERO COC(=O)[C@@H]1CCN(CCC[NH+]2CCCCC2)c2ccccc21 ZINC000161458459 432779792 /nfs/dbraw/zinc/77/97/92/432779792.db2.gz KWSHCLIGTHSZEM-QGZVFWFLSA-N 1 0 316.445 3.029 10 70 DGIERO Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000160388389 524174409 /nfs/dbraw/zinc/17/44/09/524174409.db2.gz KFCFKPJTGNNOOW-UKRRQHHQSA-N 1 0 306.837 3.253 10 70 DGIERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000160801551 197440003 /nfs/dbraw/zinc/44/00/03/197440003.db2.gz UHAXTSPPRQTQEY-RYUDHWBXSA-N 1 0 300.324 3.247 10 70 DGIERO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)cc1F ZINC000159571862 228242300 /nfs/dbraw/zinc/24/23/00/228242300.db2.gz WFAXQGAHZKNNHH-AWEZNQCLSA-N 1 0 309.429 3.177 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)Cc1nc2ccccc2n1C ZINC000159768297 432695774 /nfs/dbraw/zinc/69/57/74/432695774.db2.gz KFLFQOBVKXCNOH-UHFFFAOYSA-N 1 0 314.458 3.483 10 70 DGIERO COC(=O)c1sccc1C[N@H+](CCc1nccs1)C(C)C ZINC000159844453 432698086 /nfs/dbraw/zinc/69/80/86/432698086.db2.gz XYRFWTWTKMECNM-UHFFFAOYSA-N 1 0 324.471 3.444 10 70 DGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565254 432686181 /nfs/dbraw/zinc/68/61/81/432686181.db2.gz NMEQBBOJNUMBRX-KOLCDFICSA-N 1 0 301.217 3.079 10 70 DGIERO C[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000159569149 432686795 /nfs/dbraw/zinc/68/67/95/432686795.db2.gz HGUMCJBABVYSTG-KRWDZBQOSA-N 1 0 315.461 3.094 10 70 DGIERO C[C@@]1(CNc2ncc(F)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160800415 432742944 /nfs/dbraw/zinc/74/29/44/432742944.db2.gz GMFCSEOSRGCRDL-KRWDZBQOSA-N 1 0 300.381 3.082 10 70 DGIERO Fc1cc(Cl)cc(C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000160819772 432744696 /nfs/dbraw/zinc/74/46/96/432744696.db2.gz GCINAPPLCPDOTE-AWEZNQCLSA-N 1 0 307.752 3.409 10 70 DGIERO C[C@H]1CO[C@H](c2ccccc2)CN1CCC[NH+]1CCCCC1 ZINC000160865283 432746090 /nfs/dbraw/zinc/74/60/90/432746090.db2.gz WSZCWVBWLBVRJX-HKUYNNGSSA-N 1 0 302.462 3.324 10 70 DGIERO Fc1cccc(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000159752322 292799478 /nfs/dbraw/zinc/79/94/78/292799478.db2.gz MXEIMTHIRLLEBM-UHFFFAOYSA-N 1 0 318.358 3.375 10 70 DGIERO O=C1CCCN1CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000159491425 304626372 /nfs/dbraw/zinc/62/63/72/304626372.db2.gz JBZSDCYQWRCHAT-HNNXBMFYSA-N 1 0 322.836 3.156 10 70 DGIERO CC(C)c1nc(C2(NCCC[NH+]3CCCCC3)CCCC2)no1 ZINC000161307535 528266296 /nfs/dbraw/zinc/26/62/96/528266296.db2.gz NMAZROBQTLIKKK-UHFFFAOYSA-N 1 0 320.481 3.428 10 70 DGIERO Cc1cc(F)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000160203877 546059518 /nfs/dbraw/zinc/05/95/18/546059518.db2.gz MZBJSVMGLORUSH-QGZVFWFLSA-N 1 0 318.367 3.306 10 70 DGIERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160339166 546060145 /nfs/dbraw/zinc/06/01/45/546060145.db2.gz ZJMJEWVGOVFZKC-HZMBPMFUSA-N 1 0 321.218 3.264 10 70 DGIERO CC(C)COc1ccc([C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000159653548 186133109 /nfs/dbraw/zinc/13/31/09/186133109.db2.gz VIHXAIGSHDOWHG-OAHLLOKOSA-N 1 0 318.461 3.240 10 70 DGIERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000160234508 197395209 /nfs/dbraw/zinc/39/52/09/197395209.db2.gz FWSSCPYCRYTNJR-YOEHRIQHSA-N 1 0 308.429 3.286 10 70 DGIERO Cc1ccc([C@H](C)NC(=O)N2CCC(CCC[NH+](C)C)CC2)o1 ZINC000159900955 197371944 /nfs/dbraw/zinc/37/19/44/197371944.db2.gz RLXWIJANQHSCJB-HNNXBMFYSA-N 1 0 321.465 3.412 10 70 DGIERO C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)c2ccccc21 ZINC000159570273 278585794 /nfs/dbraw/zinc/58/57/94/278585794.db2.gz UDYQGTQOTKFQHK-CXAGYDPISA-N 1 0 301.434 3.018 10 70 DGIERO CC(C)N(C(=O)C[N@H+](CCc1nccs1)C(C)C)C(C)C ZINC000159840360 432696841 /nfs/dbraw/zinc/69/68/41/432696841.db2.gz SCXZCZIRNXGHQI-UHFFFAOYSA-N 1 0 311.495 3.041 10 70 DGIERO CCc1oc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C ZINC000159797868 432696950 /nfs/dbraw/zinc/69/69/50/432696950.db2.gz NSVPZZWUAMLYLT-UHFFFAOYSA-N 1 0 314.429 3.354 10 70 DGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccccc1 ZINC000160420181 432719610 /nfs/dbraw/zinc/71/96/10/432719610.db2.gz PVGIMVHBMDZMJS-OAHLLOKOSA-N 1 0 306.475 3.015 10 70 DGIERO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000161056164 432755636 /nfs/dbraw/zinc/75/56/36/432755636.db2.gz MGYJJFYEIRKEDB-IAGOWNOFSA-N 1 0 320.864 3.292 10 70 DGIERO C[C@H](c1ccncc1)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161187109 432764544 /nfs/dbraw/zinc/76/45/44/432764544.db2.gz YNLYWXJFZIZXAB-OAHLLOKOSA-N 1 0 301.409 3.346 10 70 DGIERO C[C@H](c1ccccn1)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161189989 432765053 /nfs/dbraw/zinc/76/50/53/432765053.db2.gz VGJWSBAZMSHEFE-OAHLLOKOSA-N 1 0 301.409 3.346 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000161338073 432773227 /nfs/dbraw/zinc/77/32/27/432773227.db2.gz SXCZQUVSVMZGHC-AWEZNQCLSA-N 1 0 304.825 3.331 10 70 DGIERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161340903 432774422 /nfs/dbraw/zinc/77/44/22/432774422.db2.gz QYDYNNNKVFKESL-OAHLLOKOSA-N 1 0 311.429 3.095 10 70 DGIERO CCC[C@H](C(=O)Nc1ccc(NC(=O)CC(C)C)cc1)[NH+](C)C ZINC000161415970 432777625 /nfs/dbraw/zinc/77/76/25/432777625.db2.gz ZFZPRVDSPHBMAB-MRXNPFEDSA-N 1 0 319.449 3.340 10 70 DGIERO C[N@H+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160579415 432729226 /nfs/dbraw/zinc/72/92/26/432729226.db2.gz NGIDWHRJWXARSH-QXULXFAOSA-N 1 0 324.465 3.028 10 70 DGIERO C[C@@H](CNC(=O)[C@]1(C)CCCc2ccccc21)C[NH+]1CCCC1 ZINC000160610160 432731954 /nfs/dbraw/zinc/73/19/54/432731954.db2.gz JCVSGUORAACHOJ-OXJNMPFZSA-N 1 0 314.473 3.129 10 70 DGIERO COc1ccc(C[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1OC ZINC000159388128 292791885 /nfs/dbraw/zinc/79/18/85/292791885.db2.gz WQCGBAYCXIZABP-DNVCBOLYSA-N 1 0 323.477 3.412 10 70 DGIERO CCc1oc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000159639186 292797029 /nfs/dbraw/zinc/79/70/29/292797029.db2.gz PLVGCSMFKAQFQX-HNNXBMFYSA-N 1 0 318.392 3.322 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000159438043 519696065 /nfs/dbraw/zinc/69/60/65/519696065.db2.gz CXHRPIIATDDABL-YJBOKZPZSA-N 1 0 316.449 3.105 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000160809821 523660324 /nfs/dbraw/zinc/66/03/24/523660324.db2.gz JCICLAWOXBYMHL-GOSISDBHSA-N 1 0 302.418 3.367 10 70 DGIERO [NH3+]CCCNC(=O)c1ccccc1SCc1cccs1 ZINC000160075172 197384019 /nfs/dbraw/zinc/38/40/19/197384019.db2.gz DGGOHLHRBZYCJG-UHFFFAOYSA-N 1 0 306.456 3.119 10 70 DGIERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000159782727 197364673 /nfs/dbraw/zinc/36/46/73/197364673.db2.gz WQWJRXVNHVWLJH-VIFPVBQESA-N 1 0 301.287 3.429 10 70 DGIERO CC[N@H+](CCOc1ccc(OC)cc1)CCc1nccs1 ZINC000159431052 197352931 /nfs/dbraw/zinc/35/29/31/197352931.db2.gz OGNJGKXQXVGIOX-UHFFFAOYSA-N 1 0 306.431 3.095 10 70 DGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1cccc(Cl)c1)CC2 ZINC000160750354 228247874 /nfs/dbraw/zinc/24/78/74/228247874.db2.gz AFIVOMRZHRKFAI-PBHICJAKSA-N 1 0 309.837 3.346 10 70 DGIERO CCC[C@H](C(=O)N1CCC(Oc2ccc(C)cc2)CC1)[NH+](C)C ZINC000160573945 276281564 /nfs/dbraw/zinc/28/15/64/276281564.db2.gz KMDKUVYJVAYJHW-GOSISDBHSA-N 1 0 318.461 3.095 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000159760600 432695711 /nfs/dbraw/zinc/69/57/11/432695711.db2.gz IMGCBPPNTXOZGI-HUUCEWRRSA-N 1 0 323.506 3.186 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)Cc1cnc2ccccn12 ZINC000159799118 432697358 /nfs/dbraw/zinc/69/73/58/432697358.db2.gz NTKNJLCXLBQHOY-UHFFFAOYSA-N 1 0 300.431 3.244 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NC1CCC(C)CC1 ZINC000159954785 432703166 /nfs/dbraw/zinc/70/31/66/432703166.db2.gz XHUGEGOUOLEXQL-UHFFFAOYSA-N 1 0 323.506 3.091 10 70 DGIERO CC(C)n1cc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)cn1 ZINC000160092422 432707481 /nfs/dbraw/zinc/70/74/81/432707481.db2.gz QOHHPKDTDSMKCH-GFCCVEGCSA-N 1 0 309.360 3.472 10 70 DGIERO COc1cccc([C@@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160440658 432720597 /nfs/dbraw/zinc/72/05/97/432720597.db2.gz IBSDECMXCZOFLF-NVXWUHKLSA-N 1 0 318.461 3.035 10 70 DGIERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccn1 ZINC000159366473 432682190 /nfs/dbraw/zinc/68/21/90/432682190.db2.gz XJHGFKHKZYJZPZ-STQMWFEESA-N 1 0 302.809 3.060 10 70 DGIERO C[NH+](C)C1(CNc2ccnc3c(F)cc(F)cc23)CCOCC1 ZINC000159479720 432684681 /nfs/dbraw/zinc/68/46/81/432684681.db2.gz SQTVZLLDDXIVLX-UHFFFAOYSA-N 1 0 321.371 3.036 10 70 DGIERO CCC[C@@H](C(=O)N(C)Cc1ccccc1C(F)(F)F)[NH+](C)C ZINC000161413328 432778147 /nfs/dbraw/zinc/77/81/47/432778147.db2.gz OSCGZPDXJKTQID-AWEZNQCLSA-N 1 0 316.367 3.394 10 70 DGIERO CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161435021 432780052 /nfs/dbraw/zinc/78/00/52/432780052.db2.gz TZNCBNXGSWWUIR-FGTMMUONSA-N 1 0 302.462 3.374 10 70 DGIERO Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000160666380 432734188 /nfs/dbraw/zinc/73/41/88/432734188.db2.gz SYBPIZMVPMGZGS-CYBMUJFWSA-N 1 0 307.752 3.409 10 70 DGIERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC000160844704 432745674 /nfs/dbraw/zinc/74/56/74/432745674.db2.gz AQRALQNTAGHISC-ZSZQSSIHSA-N 1 0 321.461 3.286 10 70 DGIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(=O)NCC(F)(F)F ZINC000160038160 292805781 /nfs/dbraw/zinc/80/57/81/292805781.db2.gz TZUCISAGEDICLH-POHAHGRESA-N 1 0 320.742 3.011 10 70 DGIERO CCC[C@@H](C(=O)Nc1ccc(Br)cc1C)[NH+](C)C ZINC000161218966 292831476 /nfs/dbraw/zinc/83/14/76/292831476.db2.gz GDAJOUYQHDUWEC-ZDUSSCGKSA-N 1 0 313.239 3.426 10 70 DGIERO C[C@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)c2ccsc2S1 ZINC000216992256 337238525 /nfs/dbraw/zinc/23/85/25/337238525.db2.gz IRVNTBWUYRQROZ-HHISKICNSA-N 1 0 310.488 3.307 10 70 DGIERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000160452516 519813154 /nfs/dbraw/zinc/81/31/54/519813154.db2.gz NUFGCDQVYGLGGV-WDEREUQCSA-N 1 0 300.349 3.249 10 70 DGIERO CC(C)[C@H](CCc1ccccc1)[NH2+]CCCN1CCCC1=O ZINC000159558083 186126758 /nfs/dbraw/zinc/12/67/58/186126758.db2.gz GKYLANYRICGTRT-SFHVURJKSA-N 1 0 302.462 3.246 10 70 DGIERO CC1CCC(N(C[C@H]2CCCO2)C(=O)CCCCCC[NH3+])CC1 ZINC000161222252 197476072 /nfs/dbraw/zinc/47/60/72/197476072.db2.gz MKXUOUISVHFXAG-DAWZGUTISA-N 1 0 324.509 3.482 10 70 DGIERO [NH3+]CCCCCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160831413 197441902 /nfs/dbraw/zinc/44/19/02/197441902.db2.gz OQFRISSSQQVZJY-CQSZACIVSA-N 1 0 316.367 3.185 10 70 DGIERO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000160476964 197413615 /nfs/dbraw/zinc/41/36/15/197413615.db2.gz XEMBHECOOPPTHA-DZKIICNBSA-N 1 0 307.434 3.214 10 70 DGIERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160338767 197402099 /nfs/dbraw/zinc/40/20/99/197402099.db2.gz ZJMJEWVGOVFZKC-QMTHXVAHSA-N 1 0 321.218 3.264 10 70 DGIERO O=C1CCCN1CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000159513444 197360304 /nfs/dbraw/zinc/36/03/04/197360304.db2.gz QAHNKEPTQGKTHT-AWEZNQCLSA-N 1 0 324.877 3.479 10 70 DGIERO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(Cl)c(F)c1 ZINC000218248020 284785866 /nfs/dbraw/zinc/78/58/66/284785866.db2.gz CSFDFEMRXCXWGS-NSHDSACASA-N 1 0 302.846 3.179 10 70 DGIERO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCCC3(C)C)c2c1 ZINC000160889044 400736164 /nfs/dbraw/zinc/73/61/64/400736164.db2.gz FFVLQXSQRRNQFA-UHFFFAOYSA-N 1 0 314.385 3.012 10 70 DGIERO CC[C@H](C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1)[NH+](C)C ZINC000160477586 287464097 /nfs/dbraw/zinc/46/40/97/287464097.db2.gz KHUTUCARKAHKNJ-DZGCQCFKSA-N 1 0 323.506 3.313 10 70 DGIERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCCO2 ZINC000160467066 277989175 /nfs/dbraw/zinc/98/91/75/277989175.db2.gz SYJYVUGJBZWZAX-XKQJLSEDSA-N 1 0 305.418 3.050 10 70 DGIERO COC(=O)c1cccc(C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159875957 432698963 /nfs/dbraw/zinc/69/89/63/432698963.db2.gz RZTPSKDBNYPLNG-UHFFFAOYSA-N 1 0 318.442 3.383 10 70 DGIERO COc1ccc(OC)c([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000160013996 432705065 /nfs/dbraw/zinc/70/50/65/432705065.db2.gz LILGJNYEXRLHGH-ZQIUZPCESA-N 1 0 306.450 3.083 10 70 DGIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(-c2ccncc2)c1 ZINC000159587026 432688046 /nfs/dbraw/zinc/68/80/46/432688046.db2.gz OWUWEJAUQAWEJG-INIZCTEOSA-N 1 0 323.440 3.412 10 70 DGIERO CCC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC000161155751 432762664 /nfs/dbraw/zinc/76/26/64/432762664.db2.gz JVGJLGSMSPHHOU-SFHVURJKSA-N 1 0 302.462 3.198 10 70 DGIERO CCC[C@@H](C(=O)Nc1ccc(Br)cc1F)[NH+](C)C ZINC000161172852 432763794 /nfs/dbraw/zinc/76/37/94/432763794.db2.gz RPCULAFLGXLZGZ-LBPRGKRZSA-N 1 0 317.202 3.257 10 70 DGIERO CCC[C@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)[NH+](C)C ZINC000161335035 432772438 /nfs/dbraw/zinc/77/24/38/432772438.db2.gz DFWYLGKNSUXKQF-UONOGXRCSA-N 1 0 310.438 3.209 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000161338878 432772671 /nfs/dbraw/zinc/77/26/71/432772671.db2.gz GDWHEIGLZBXMKS-AWEZNQCLSA-N 1 0 304.825 3.331 10 70 DGIERO CCc1ccc([C@@H](C)CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161328613 432773135 /nfs/dbraw/zinc/77/31/35/432773135.db2.gz LFYGHFHRXRZQLO-DYJHLDHHSA-N 1 0 314.473 3.484 10 70 DGIERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160553226 432729210 /nfs/dbraw/zinc/72/92/10/432729210.db2.gz HNBPBKDPFTWHPS-FNHZYXHNSA-N 1 0 313.445 3.382 10 70 DGIERO CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000160702420 432736165 /nfs/dbraw/zinc/73/61/65/432736165.db2.gz LRSISLSAQCFBIJ-IRXDYDNUSA-N 1 0 306.425 3.262 10 70 DGIERO Cc1ccc(C(C)(C)CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161496310 432783332 /nfs/dbraw/zinc/78/33/32/432783332.db2.gz GDWJRECBOGIXMF-JWTNVVGKSA-N 1 0 314.473 3.404 10 70 DGIERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000159478131 303463539 /nfs/dbraw/zinc/46/35/39/303463539.db2.gz DNYQMMMSZUTFQW-UONOGXRCSA-N 1 0 304.438 3.304 10 70 DGIERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000216868675 546263259 /nfs/dbraw/zinc/26/32/59/546263259.db2.gz WRCXXVWUAXOEHU-BZUAXINKSA-N 1 0 324.262 3.200 10 70 DGIERO CC[C@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000159536471 400729935 /nfs/dbraw/zinc/72/99/35/400729935.db2.gz LWZJTJRXWPGOCE-MRXNPFEDSA-N 1 0 302.462 3.431 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000159898372 432701581 /nfs/dbraw/zinc/70/15/81/432701581.db2.gz ZNWWUAYWKJGLQI-GJZGRUSLSA-N 1 0 323.506 3.091 10 70 DGIERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000160090105 432706438 /nfs/dbraw/zinc/70/64/38/432706438.db2.gz HVAWPXPXNRPGPD-AWEZNQCLSA-N 1 0 306.475 3.186 10 70 DGIERO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160534872 432726764 /nfs/dbraw/zinc/72/67/64/432726764.db2.gz WLSHXOPOZGCYNM-OAHLLOKOSA-N 1 0 306.475 3.259 10 70 DGIERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000159637286 432690529 /nfs/dbraw/zinc/69/05/29/432690529.db2.gz HZILGMQDWXEQQK-ZIFCJYIRSA-N 1 0 316.489 3.410 10 70 DGIERO CCC[C@H](C(=O)Nc1ccc(Br)cc1F)[NH+](C)C ZINC000161172984 432765876 /nfs/dbraw/zinc/76/58/76/432765876.db2.gz RPCULAFLGXLZGZ-GFCCVEGCSA-N 1 0 317.202 3.257 10 70 DGIERO Cc1noc(C)c1[C@H](C)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161228839 432768112 /nfs/dbraw/zinc/76/81/12/432768112.db2.gz XFGFLGBMSDTBFG-UWTIGNOOSA-N 1 0 321.465 3.022 10 70 DGIERO CCC[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)[NH+](C)C ZINC000161334653 432772516 /nfs/dbraw/zinc/77/25/16/432772516.db2.gz DFWYLGKNSUXKQF-KGLIPLIRSA-N 1 0 310.438 3.209 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000161337938 432772591 /nfs/dbraw/zinc/77/25/91/432772591.db2.gz SXCZQUVSVMZGHC-CQSZACIVSA-N 1 0 304.825 3.331 10 70 DGIERO CC(C)c1nc([C@H]2CCCN2CCC[NH+]2CCCCC2)no1 ZINC000161309473 432772700 /nfs/dbraw/zinc/77/27/00/432772700.db2.gz INXZUSOVRDPLGR-OAHLLOKOSA-N 1 0 306.454 3.206 10 70 DGIERO CCC[C@H](C(=O)NCCCO[C@H](C)c1ccccc1)[NH+](C)C ZINC000161309077 432773504 /nfs/dbraw/zinc/77/35/04/432773504.db2.gz HDYLCHDSSKOQQV-NVXWUHKLSA-N 1 0 306.450 3.001 10 70 DGIERO CCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000161342050 432775138 /nfs/dbraw/zinc/77/51/38/432775138.db2.gz NTTJHZOCZDTTQO-CYBMUJFWSA-N 1 0 302.340 3.052 10 70 DGIERO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000161379738 432776989 /nfs/dbraw/zinc/77/69/89/432776989.db2.gz PGGOHTAOMJNTPV-CZUORRHYSA-N 1 0 321.465 3.022 10 70 DGIERO Cc1[nH]c2c(cccc2C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000161395541 432777056 /nfs/dbraw/zinc/77/70/56/432777056.db2.gz MFFDTRXQLIVWFI-SJCJKPOMSA-N 1 0 313.445 3.243 10 70 DGIERO CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000160702699 432735864 /nfs/dbraw/zinc/73/58/64/432735864.db2.gz LRSISLSAQCFBIJ-SJORKVTESA-N 1 0 306.425 3.262 10 70 DGIERO COc1ccc2c(c1)[C@H]([NH2+]CCCc1nc(C(C)C)no1)CC2 ZINC000160780763 432740070 /nfs/dbraw/zinc/74/00/70/432740070.db2.gz SWCNGTJJIVNOOY-MRXNPFEDSA-N 1 0 315.417 3.411 10 70 DGIERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000160792874 432742803 /nfs/dbraw/zinc/74/28/03/432742803.db2.gz HGATYSYOAPFPHN-CYBMUJFWSA-N 1 0 314.433 3.236 10 70 DGIERO CC1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCC1 ZINC000159481587 292793129 /nfs/dbraw/zinc/79/31/29/292793129.db2.gz VELQYZTUQWBDOM-UHFFFAOYSA-N 1 0 321.509 3.474 10 70 DGIERO CCc1cccc(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000159720059 292798827 /nfs/dbraw/zinc/79/88/27/292798827.db2.gz ZWNZHBUCXAKREI-UHFFFAOYSA-N 1 0 302.462 3.171 10 70 DGIERO Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159528430 301447908 /nfs/dbraw/zinc/44/79/08/301447908.db2.gz RFAIUJFSGFCQJX-QGZVFWFLSA-N 1 0 316.445 3.119 10 70 DGIERO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160786980 533852884 /nfs/dbraw/zinc/85/28/84/533852884.db2.gz QAIIZULDVQVWCK-PBHICJAKSA-N 1 0 309.837 3.476 10 70 DGIERO CCOC[C@@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159677566 520114725 /nfs/dbraw/zinc/11/47/25/520114725.db2.gz UEBDLWCCAFAIFJ-QGZVFWFLSA-N 1 0 308.441 3.006 10 70 DGIERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000160316642 526044625 /nfs/dbraw/zinc/04/46/25/526044625.db2.gz IHOJZTKVZILIAU-GOSISDBHSA-N 1 0 310.397 3.116 10 70 DGIERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000160801411 197440294 /nfs/dbraw/zinc/44/02/94/197440294.db2.gz UHAXTSPPRQTQEY-NEPJUHHUSA-N 1 0 300.324 3.247 10 70 DGIERO C[C@@H](c1cccnc1)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161188533 274278645 /nfs/dbraw/zinc/27/86/45/274278645.db2.gz SIDCYSQHLAZLCS-HNNXBMFYSA-N 1 0 301.409 3.346 10 70 DGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533512 274313734 /nfs/dbraw/zinc/31/37/34/274313734.db2.gz OWXATTCMDFZZDE-ZJUUUORDSA-N 1 0 301.217 3.079 10 70 DGIERO CO[C@@]1(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)CCOC1 ZINC000160099228 432706210 /nfs/dbraw/zinc/70/62/10/432706210.db2.gz YBYZDHPMKKOBQW-BXUZGUMPSA-N 1 0 301.839 3.174 10 70 DGIERO COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCCC1)CCCO2 ZINC000159582131 432689137 /nfs/dbraw/zinc/68/91/37/432689137.db2.gz SMFBTVRMRAGPFJ-GOSISDBHSA-N 1 0 318.461 3.375 10 70 DGIERO Cc1ccc(C[C@@H](C)N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000159637943 432690850 /nfs/dbraw/zinc/69/08/50/432690850.db2.gz WYPGOJVJMJRCGB-BPIHKTFHSA-N 1 0 314.473 3.305 10 70 DGIERO CC[C@@](C)(O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000161037694 432756776 /nfs/dbraw/zinc/75/67/76/432756776.db2.gz DWEKRTYNUUBYBS-DLBZAZTESA-N 1 0 311.853 3.246 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000161343570 432774377 /nfs/dbraw/zinc/77/43/77/432774377.db2.gz JEIWCMFKKZTUDE-OAHLLOKOSA-N 1 0 318.852 3.374 10 70 DGIERO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000161373180 432776330 /nfs/dbraw/zinc/77/63/30/432776330.db2.gz VVLQRIUMDYFUQJ-SQNIBIBYSA-N 1 0 324.509 3.305 10 70 DGIERO CN(C)C(=O)c1ccc(CN(C)Cc2ccc(Cl)cc2)[nH]1 ZINC000160807352 432742330 /nfs/dbraw/zinc/74/23/30/432742330.db2.gz GRCSSINRAROYPJ-UHFFFAOYSA-N 1 0 305.809 3.002 10 70 DGIERO C[C@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)c2ccsc2S1 ZINC000216992246 337238563 /nfs/dbraw/zinc/23/85/63/337238563.db2.gz IRVNTBWUYRQROZ-YUVKLTJASA-N 1 0 310.488 3.307 10 70 DGIERO CCOC[C@@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000161328946 528913232 /nfs/dbraw/zinc/91/32/32/528913232.db2.gz ANLYQPIDDGFCEF-BDAKNGLRSA-N 1 0 310.196 3.181 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000160996080 529372631 /nfs/dbraw/zinc/37/26/31/529372631.db2.gz FZSDRNOCXQJTNT-AWEZNQCLSA-N 1 0 300.240 3.084 10 70 DGIERO CCC(CC)(C[NH3+])C(=O)NCc1ccc(F)cc1CSC ZINC000161257324 197478980 /nfs/dbraw/zinc/47/89/80/197478980.db2.gz TXRSBWHMGNMLAM-UHFFFAOYSA-N 1 0 312.454 3.070 10 70 DGIERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160024194 197379881 /nfs/dbraw/zinc/37/98/81/197379881.db2.gz XIGLABBVXLWLEC-GOSISDBHSA-N 1 0 311.429 3.237 10 70 DGIERO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000159770509 432695142 /nfs/dbraw/zinc/69/51/42/432695142.db2.gz DHANBDFCZPINQH-RISCZKNCSA-N 1 0 316.214 3.181 10 70 DGIERO CC[C@H]1CCCCN1C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159791641 432695274 /nfs/dbraw/zinc/69/52/74/432695274.db2.gz ZMBDFBIATRABCE-HNNXBMFYSA-N 1 0 323.506 3.187 10 70 DGIERO COC(=O)c1ccc(C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159841906 432696855 /nfs/dbraw/zinc/69/68/55/432696855.db2.gz KSFDJDYVFGMTLK-UHFFFAOYSA-N 1 0 318.442 3.383 10 70 DGIERO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000159805955 432697133 /nfs/dbraw/zinc/69/71/33/432697133.db2.gz DJGNLODHQTUKJR-RVKKMQEKSA-N 1 0 315.461 3.266 10 70 DGIERO CC(C)CN(C(=O)C[N@H+](CCc1nccs1)C(C)C)C1CC1 ZINC000159857358 432698830 /nfs/dbraw/zinc/69/88/30/432698830.db2.gz BUWIOSSLFUTHMD-UHFFFAOYSA-N 1 0 323.506 3.043 10 70 DGIERO CCCn1cc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)cn1 ZINC000159390445 432682070 /nfs/dbraw/zinc/68/20/70/432682070.db2.gz BAVBHYQTMMGGBJ-UHFFFAOYSA-N 1 0 314.477 3.293 10 70 DGIERO C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)c2ccccc21 ZINC000159570395 432688074 /nfs/dbraw/zinc/68/80/74/432688074.db2.gz UDYQGTQOTKFQHK-SUMWQHHRSA-N 1 0 301.434 3.018 10 70 DGIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(-c2ccncc2)c1 ZINC000159587171 432689247 /nfs/dbraw/zinc/68/92/47/432689247.db2.gz OWUWEJAUQAWEJG-MRXNPFEDSA-N 1 0 323.440 3.412 10 70 DGIERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1 ZINC000161071483 432757377 /nfs/dbraw/zinc/75/73/77/432757377.db2.gz BYTVEWPMIVNERK-BPIHKTFHSA-N 1 0 322.456 3.323 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000161267330 432770243 /nfs/dbraw/zinc/77/02/43/432770243.db2.gz NXTLWHKIJCLXDW-KBPBESRZSA-N 1 0 302.397 3.378 10 70 DGIERO COC(=O)[C@H]1CCN(CCC[NH+]2CCCCC2)c2ccccc21 ZINC000161458589 432780057 /nfs/dbraw/zinc/78/00/57/432780057.db2.gz KWSHCLIGTHSZEM-KRWDZBQOSA-N 1 0 316.445 3.029 10 70 DGIERO CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000160702828 432735763 /nfs/dbraw/zinc/73/57/63/432735763.db2.gz LRSISLSAQCFBIJ-IAGOWNOFSA-N 1 0 306.425 3.262 10 70 DGIERO CSc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160711036 432737755 /nfs/dbraw/zinc/73/77/55/432737755.db2.gz TVHVTTCQHHRATG-QAPCUYQASA-N 1 0 321.486 3.414 10 70 DGIERO COc1ccc(C[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1OC ZINC000159387884 292791805 /nfs/dbraw/zinc/79/18/05/292791805.db2.gz WQCGBAYCXIZABP-HNAYVOBHSA-N 1 0 323.477 3.412 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000160517365 529372648 /nfs/dbraw/zinc/37/26/48/529372648.db2.gz HGOKVDLWIIOLSW-AWEZNQCLSA-N 1 0 319.232 3.025 10 70 DGIERO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160131219 197388099 /nfs/dbraw/zinc/38/80/99/197388099.db2.gz MUYFXGYDRMRXJR-KGLIPLIRSA-N 1 0 321.465 3.035 10 70 DGIERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000159978260 197377499 /nfs/dbraw/zinc/37/74/99/197377499.db2.gz LXIVBBUIZYMXFA-VIFPVBQESA-N 1 0 318.248 3.036 10 70 DGIERO Clc1cc(Cl)cc(OCCN2CC[NH+](C3CC3)CC2)c1 ZINC000159718509 197361477 /nfs/dbraw/zinc/36/14/77/197361477.db2.gz VMQOYWWQPXZPLN-UHFFFAOYSA-N 1 0 315.244 3.152 10 70 DGIERO CCC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC)cc1 ZINC000159481639 197356642 /nfs/dbraw/zinc/35/66/42/197356642.db2.gz ZWXMFWKQDAHGIJ-QGZVFWFLSA-N 1 0 304.434 3.139 10 70 DGIERO CC(C)CSCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000160709198 400734517 /nfs/dbraw/zinc/73/45/17/400734517.db2.gz GLLWZZVGXZSVKO-KRWDZBQOSA-N 1 0 322.518 3.055 10 70 DGIERO CCOC(=O)C[C@@H]([NH3+])c1ccc(Br)cc1Cl ZINC000161039474 400737287 /nfs/dbraw/zinc/73/72/87/400737287.db2.gz SMLHHFQQNNTVHX-SNVBAGLBSA-N 1 0 306.587 3.056 10 70 DGIERO CCOC(=O)C[C@H]([NH3+])c1ccc(Br)cc1Cl ZINC000161039346 400737759 /nfs/dbraw/zinc/73/77/59/400737759.db2.gz SMLHHFQQNNTVHX-JTQLQIEISA-N 1 0 306.587 3.056 10 70 DGIERO c1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000159713983 432694290 /nfs/dbraw/zinc/69/42/90/432694290.db2.gz CUHKCFJXUYUTTH-INIZCTEOSA-N 1 0 321.380 3.400 10 70 DGIERO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159778615 432696427 /nfs/dbraw/zinc/69/64/27/432696427.db2.gz RSSURYHJQIPTAK-OAHLLOKOSA-N 1 0 306.450 3.240 10 70 DGIERO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160460003 432720899 /nfs/dbraw/zinc/72/08/99/432720899.db2.gz WFMKHELHZACFHJ-PMPSAXMXSA-N 1 0 320.502 3.397 10 70 DGIERO COc1ccc(C[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1OC ZINC000159388012 432682429 /nfs/dbraw/zinc/68/24/29/432682429.db2.gz WQCGBAYCXIZABP-BEFAXECRSA-N 1 0 323.477 3.412 10 70 DGIERO C[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000159378806 432682505 /nfs/dbraw/zinc/68/25/05/432682505.db2.gz AEGNOGLVBGIUSU-FQEVSTJZSA-N 1 0 312.457 3.024 10 70 DGIERO CC[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000159439309 432682877 /nfs/dbraw/zinc/68/28/77/432682877.db2.gz OFXYFLIZSNKREI-IAGOWNOFSA-N 1 0 304.409 3.016 10 70 DGIERO CC[C@@](C)(O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000161037432 432756722 /nfs/dbraw/zinc/75/67/22/432756722.db2.gz DWEKRTYNUUBYBS-IAGOWNOFSA-N 1 0 311.853 3.246 10 70 DGIERO CSc1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160551720 432729312 /nfs/dbraw/zinc/72/93/12/432729312.db2.gz BLEOZVKJLXVILU-GFCCVEGCSA-N 1 0 312.504 3.320 10 70 DGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCCOCCc1ccccc1)CC2 ZINC000160748868 432738310 /nfs/dbraw/zinc/73/83/10/432738310.db2.gz ZXHKMPPXGLHYPW-UXHICEINSA-N 1 0 317.473 3.263 10 70 DGIERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160849032 432746310 /nfs/dbraw/zinc/74/63/10/432746310.db2.gz DHUMUMHTTXBQSS-APWZRJJASA-N 1 0 302.462 3.306 10 70 DGIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC(=O)NC1CC1 ZINC000160006740 292805038 /nfs/dbraw/zinc/80/50/38/292805038.db2.gz VKQPALJGZQXKMT-QBFSEMIESA-N 1 0 306.837 3.392 10 70 DGIERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000160316505 526045521 /nfs/dbraw/zinc/04/55/21/526045521.db2.gz IHOJZTKVZILIAU-SFHVURJKSA-N 1 0 310.397 3.116 10 70 DGIERO COC[C@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159821965 197367546 /nfs/dbraw/zinc/36/75/46/197367546.db2.gz NNFCTRONTYOIRB-BBRMVZONSA-N 1 0 322.836 3.191 10 70 DGIERO O=C1CCCN1CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000159513317 197359567 /nfs/dbraw/zinc/35/95/67/197359567.db2.gz QAHNKEPTQGKTHT-CQSZACIVSA-N 1 0 324.877 3.479 10 70 DGIERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160848735 197443420 /nfs/dbraw/zinc/44/34/20/197443420.db2.gz DHUMUMHTTXBQSS-LPHOPBHVSA-N 1 0 302.462 3.306 10 70 DGIERO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159758403 432695940 /nfs/dbraw/zinc/69/59/40/432695940.db2.gz PRZDANJNVMEUNO-LBPRGKRZSA-N 1 0 305.372 3.291 10 70 DGIERO FC(F)Oc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160546851 432726609 /nfs/dbraw/zinc/72/66/09/432726609.db2.gz ZEUARRVDSMOQRS-UHFFFAOYSA-N 1 0 307.344 3.391 10 70 DGIERO CCOc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000159373487 432681250 /nfs/dbraw/zinc/68/12/50/432681250.db2.gz WZUHRAOVVFLSJV-UHFFFAOYSA-N 1 0 319.449 3.327 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000159397245 432682535 /nfs/dbraw/zinc/68/25/35/432682535.db2.gz KZFPAPUQXLONMZ-XXHMAFKTSA-N 1 0 311.491 3.262 10 70 DGIERO COc1cccc(CCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160910226 432749889 /nfs/dbraw/zinc/74/98/89/432749889.db2.gz JBUPQKNCGGQAIW-IEBWSBKVSA-N 1 0 303.446 3.255 10 70 DGIERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1 ZINC000161071350 432757302 /nfs/dbraw/zinc/75/73/02/432757302.db2.gz BYTVEWPMIVNERK-UXDRXVOSSA-N 1 0 322.456 3.323 10 70 DGIERO CC[C@@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065190 432758259 /nfs/dbraw/zinc/75/82/59/432758259.db2.gz GMARQCHYBZCPGR-CMPLNLGQSA-N 1 0 314.414 3.182 10 70 DGIERO CCC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161167600 432763904 /nfs/dbraw/zinc/76/39/04/432763904.db2.gz OKTKISSJTKWVAK-LBPRGKRZSA-N 1 0 304.312 3.254 10 70 DGIERO CCN(Cc1ccccn1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000161195639 432764773 /nfs/dbraw/zinc/76/47/73/432764773.db2.gz LHDRQTILXGKNCD-JKSUJKDBSA-N 1 0 311.429 3.169 10 70 DGIERO CCC[C@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)[NH+](C)C ZINC000161334781 432773346 /nfs/dbraw/zinc/77/33/46/432773346.db2.gz DFWYLGKNSUXKQF-ZIAGYGMSSA-N 1 0 310.438 3.209 10 70 DGIERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000160612025 432732462 /nfs/dbraw/zinc/73/24/62/432732462.db2.gz ZHIXXUJEQCATJE-ZVZYQTTQSA-N 1 0 316.445 3.015 10 70 DGIERO C[C@H](CNC(=O)[C@@]1(C)CCCc2ccccc21)C[NH+]1CCCC1 ZINC000160610537 432732828 /nfs/dbraw/zinc/73/28/28/432732828.db2.gz JCVSGUORAACHOJ-UZLBHIALSA-N 1 0 314.473 3.129 10 70 DGIERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)n1 ZINC000160821658 432743937 /nfs/dbraw/zinc/74/39/37/432743937.db2.gz ZIEPNKDMNMHBHN-ZDUSSCGKSA-N 1 0 305.426 3.254 10 70 DGIERO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159778481 292800077 /nfs/dbraw/zinc/80/00/77/292800077.db2.gz RSSURYHJQIPTAK-HNNXBMFYSA-N 1 0 306.450 3.240 10 70 DGIERO COc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160786840 533851806 /nfs/dbraw/zinc/85/18/06/533851806.db2.gz QAIIZULDVQVWCK-RHSMWYFYSA-N 1 0 309.837 3.476 10 70 DGIERO Cc1ccc(CCCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161380136 524314462 /nfs/dbraw/zinc/31/44/62/524314462.db2.gz RGBFYZNNQPSGJV-DFNIBXOVSA-N 1 0 314.473 3.449 10 70 DGIERO CCC[C@H](C(=O)N[C@H](C)c1ccc(OC(F)F)cc1)[NH+](C)C ZINC000161453934 197496666 /nfs/dbraw/zinc/49/66/66/197496666.db2.gz JUWMGRSHBNCZRR-BXUZGUMPSA-N 1 0 314.376 3.196 10 70 DGIERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000160234381 197395309 /nfs/dbraw/zinc/39/53/09/197395309.db2.gz FWSSCPYCRYTNJR-PBHICJAKSA-N 1 0 308.429 3.286 10 70 DGIERO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159503359 197359024 /nfs/dbraw/zinc/35/90/24/197359024.db2.gz VRODINMECLDELA-CYBMUJFWSA-N 1 0 324.852 3.402 10 70 DGIERO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)cc1F ZINC000159571719 228243113 /nfs/dbraw/zinc/24/31/13/228243113.db2.gz WFAXQGAHZKNNHH-CQSZACIVSA-N 1 0 309.429 3.177 10 70 DGIERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000216870094 275053036 /nfs/dbraw/zinc/05/30/36/275053036.db2.gz MZUBXVBTLPBZHH-OWCLPIDISA-N 1 0 324.262 3.200 10 70 DGIERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000159978375 276117680 /nfs/dbraw/zinc/11/76/80/276117680.db2.gz LXIVBBUIZYMXFA-SECBINFHSA-N 1 0 318.248 3.036 10 70 DGIERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000160452241 432721358 /nfs/dbraw/zinc/72/13/58/432721358.db2.gz NUFGCDQVYGLGGV-QWRGUYRKSA-N 1 0 300.349 3.249 10 70 DGIERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000159435506 432682789 /nfs/dbraw/zinc/68/27/89/432682789.db2.gz ZEYYTAZXSKXLFF-HUUCEWRRSA-N 1 0 314.404 3.490 10 70 DGIERO COc1cccc(CCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160910361 432749639 /nfs/dbraw/zinc/74/96/39/432749639.db2.gz JBUPQKNCGGQAIW-MJGOQNOKSA-N 1 0 303.446 3.255 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000161295865 432771214 /nfs/dbraw/zinc/77/12/14/432771214.db2.gz DGNKUGXXSVGQAJ-DZGCQCFKSA-N 1 0 302.397 3.378 10 70 DGIERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161340816 432774138 /nfs/dbraw/zinc/77/41/38/432774138.db2.gz QYDYNNNKVFKESL-HNNXBMFYSA-N 1 0 311.429 3.095 10 70 DGIERO COc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000161395112 432776391 /nfs/dbraw/zinc/77/63/91/432776391.db2.gz RNONDLOUUVPMQJ-RHSMWYFYSA-N 1 0 309.837 3.476 10 70 DGIERO Cc1c2cccc(C)c2oc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161414118 432777578 /nfs/dbraw/zinc/77/75/78/432777578.db2.gz PLDWEJNFZUFXMK-YIONKMFJSA-N 1 0 312.413 3.405 10 70 DGIERO CCC[C@H](C(=O)NCCCSc1ccc(F)cc1)[NH+](C)C ZINC000161441865 432778931 /nfs/dbraw/zinc/77/89/31/432778931.db2.gz YCZFVTIVLBAPFS-OAHLLOKOSA-N 1 0 312.454 3.154 10 70 DGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSc2ccccc21 ZINC000160578799 432728733 /nfs/dbraw/zinc/72/87/33/432728733.db2.gz WPUHXRVYKOXRSJ-GDBMZVCRSA-N 1 0 318.486 3.113 10 70 DGIERO CC[C@@H](C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1)[NH+](C)C ZINC000160477722 521815538 /nfs/dbraw/zinc/81/55/38/521815538.db2.gz KHUTUCARKAHKNJ-HIFRSBDPSA-N 1 0 323.506 3.313 10 70 DGIERO CCc1oc(C(=O)OC)cc1C[N@H+](CC)CCc1nccs1 ZINC000159419969 197352627 /nfs/dbraw/zinc/35/26/27/197352627.db2.gz DNOWUYQLHJNZTG-UHFFFAOYSA-N 1 0 322.430 3.150 10 70 DGIERO CC[N@H+](CCc1nccs1)Cc1ccc(F)cc1C(=O)OC ZINC000159378449 197349856 /nfs/dbraw/zinc/34/98/56/197349856.db2.gz WVBSJYKFOPODEQ-UHFFFAOYSA-N 1 0 322.405 3.133 10 70 DGIERO C[C@@H](CNC(=O)[C@@]1(C)CCCc2ccccc21)C[NH+]1CCCC1 ZINC000160610413 292818682 /nfs/dbraw/zinc/81/86/82/292818682.db2.gz JCVSGUORAACHOJ-JXFKEZNVSA-N 1 0 314.473 3.129 10 70 DGIERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159913691 276154067 /nfs/dbraw/zinc/15/40/67/276154067.db2.gz STRITLJVRZYLDK-HZPDHXFCSA-N 1 0 316.445 3.279 10 70 DGIERO CC(C)COc1ccc([C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000159766401 432696471 /nfs/dbraw/zinc/69/64/71/432696471.db2.gz MEFRJYYSGFPZFY-OAHLLOKOSA-N 1 0 306.450 3.239 10 70 DGIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000159996261 432702820 /nfs/dbraw/zinc/70/28/20/432702820.db2.gz KOKOCBJKCCDEMR-UKRRQHHQSA-N 1 0 324.415 3.401 10 70 DGIERO COc1cccc([C@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160440515 432720796 /nfs/dbraw/zinc/72/07/96/432720796.db2.gz IBSDECMXCZOFLF-DOTOQJQBSA-N 1 0 318.461 3.035 10 70 DGIERO Cc1ccc(O)c(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)n1 ZINC000159389599 432682348 /nfs/dbraw/zinc/68/23/48/432682348.db2.gz MWNKLBUFZYRNFQ-UHFFFAOYSA-N 1 0 313.445 3.096 10 70 DGIERO COc1ccc(OCCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160968328 432750586 /nfs/dbraw/zinc/75/05/86/432750586.db2.gz HTNVNUQFMQONIJ-APWZRJJASA-N 1 0 319.445 3.091 10 70 DGIERO CCC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC000161155852 432763856 /nfs/dbraw/zinc/76/38/56/432763856.db2.gz JVGJLGSMSPHHOU-GOSISDBHSA-N 1 0 302.462 3.198 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000161308724 432772268 /nfs/dbraw/zinc/77/22/68/432772268.db2.gz JJIKKSVVRVQXMK-AWEZNQCLSA-N 1 0 304.825 3.331 10 70 DGIERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000159477902 295337364 /nfs/dbraw/zinc/33/73/64/295337364.db2.gz DNYQMMMSZUTFQW-KBPBESRZSA-N 1 0 304.438 3.304 10 70 DGIERO Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000160388131 524175013 /nfs/dbraw/zinc/17/50/13/524175013.db2.gz KFCFKPJTGNNOOW-HIFRSBDPSA-N 1 0 306.837 3.253 10 70 DGIERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000159479087 546054713 /nfs/dbraw/zinc/05/47/13/546054713.db2.gz NFDXJMQFDOAOQQ-WCQYABFASA-N 1 0 317.260 3.365 10 70 DGIERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2ccc(F)cc2s1 ZINC000161197554 546066103 /nfs/dbraw/zinc/06/61/03/546066103.db2.gz PZQRRLKZGUUFLJ-FUNVUKJBSA-N 1 0 304.390 3.053 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000160680310 529508162 /nfs/dbraw/zinc/50/81/62/529508162.db2.gz GRGJFYAMZCJSNY-LJQANCHMSA-N 1 0 315.461 3.390 10 70 DGIERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159489159 197358034 /nfs/dbraw/zinc/35/80/34/197358034.db2.gz YJBNVXBXTQYEHY-LBPRGKRZSA-N 1 0 309.479 3.238 10 70 DGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000160807386 228249451 /nfs/dbraw/zinc/24/94/51/228249451.db2.gz FKLBTUCLTLPIBK-PBHICJAKSA-N 1 0 309.837 3.346 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)Cc1ccc2c(c1)OCCO2 ZINC000159825060 432697505 /nfs/dbraw/zinc/69/75/05/432697505.db2.gz RRVGIBFHVJZARF-UHFFFAOYSA-N 1 0 318.442 3.367 10 70 DGIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000159996393 432702530 /nfs/dbraw/zinc/70/25/30/432702530.db2.gz KOKOCBJKCCDEMR-HIFRSBDPSA-N 1 0 324.415 3.401 10 70 DGIERO C[C@H](C(=O)N(C)c1cccnc1N(C)C)c1c(F)cccc1F ZINC000160376334 432718167 /nfs/dbraw/zinc/71/81/67/432718167.db2.gz YYXVOHAGOQCGJX-NSHDSACASA-N 1 0 319.355 3.192 10 70 DGIERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000159387189 432681060 /nfs/dbraw/zinc/68/10/60/432681060.db2.gz RPVQUOJSCDYLIX-KBXCAEBGSA-N 1 0 307.434 3.296 10 70 DGIERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000159435346 432683694 /nfs/dbraw/zinc/68/36/94/432683694.db2.gz ZEYYTAZXSKXLFF-CABCVRRESA-N 1 0 314.404 3.490 10 70 DGIERO CC[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000159439167 432683887 /nfs/dbraw/zinc/68/38/87/432683887.db2.gz OFXYFLIZSNKREI-SJORKVTESA-N 1 0 304.409 3.016 10 70 DGIERO CCN(Cc1cnn(C)c1)Cc1csc(Br)c1 ZINC000161123394 432760726 /nfs/dbraw/zinc/76/07/26/432760726.db2.gz PQLWYMSXXAFYOB-UHFFFAOYSA-N 1 0 314.252 3.266 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000161343677 432774528 /nfs/dbraw/zinc/77/45/28/432774528.db2.gz JEIWCMFKKZTUDE-HNNXBMFYSA-N 1 0 318.852 3.374 10 70 DGIERO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161383939 432776807 /nfs/dbraw/zinc/77/68/07/432776807.db2.gz FOOXEBJNQQQNEL-FGTMMUONSA-N 1 0 302.462 3.292 10 70 DGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSc2ccccc21 ZINC000160578926 432729269 /nfs/dbraw/zinc/72/92/69/432729269.db2.gz WPUHXRVYKOXRSJ-ZBFHGGJFSA-N 1 0 318.486 3.113 10 70 DGIERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000160633470 432732270 /nfs/dbraw/zinc/73/22/70/432732270.db2.gz FBQFXCVRGXLXQS-DJIMGWMZSA-N 1 0 309.837 3.000 10 70 DGIERO Cn1ccnc1CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000160689347 432735401 /nfs/dbraw/zinc/73/54/01/432735401.db2.gz XVSYUYKDJBGZHJ-UHFFFAOYSA-N 1 0 306.413 3.427 10 70 DGIERO C[C@H]1CO[C@@H](c2ccccc2)CN1CCC[NH+]1CCCCC1 ZINC000160865511 432746408 /nfs/dbraw/zinc/74/64/08/432746408.db2.gz WSZCWVBWLBVRJX-PKOBYXMFSA-N 1 0 302.462 3.324 10 70 DGIERO CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159531149 292794417 /nfs/dbraw/zinc/79/44/17/292794417.db2.gz BOEPDRCHLKUCCZ-MRXNPFEDSA-N 1 0 318.461 3.385 10 70 DGIERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160584475 292817724 /nfs/dbraw/zinc/81/77/24/292817724.db2.gz PPKOXEXCVXAFDP-NRFANRHFSA-N 1 0 322.452 3.296 10 70 DGIERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000160452093 519792464 /nfs/dbraw/zinc/79/24/64/519792464.db2.gz NUFGCDQVYGLGGV-MNOVXSKESA-N 1 0 300.349 3.249 10 70 DGIERO Brc1ccc(C[NH2+][C@@H]2CCCOC2)c2ncccc12 ZINC000160326540 546060346 /nfs/dbraw/zinc/06/03/46/546060346.db2.gz IXOUXOALONRJMV-GFCCVEGCSA-N 1 0 321.218 3.266 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000160720192 529508263 /nfs/dbraw/zinc/50/82/63/529508263.db2.gz IBTXDPDMAOCQGR-CYBMUJFWSA-N 1 0 304.203 3.181 10 70 DGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000161254964 197478823 /nfs/dbraw/zinc/47/88/23/197478823.db2.gz VNUJMIVYHNXHTG-ROHVMALMSA-N 1 0 304.409 3.074 10 70 DGIERO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159489041 197358157 /nfs/dbraw/zinc/35/81/57/197358157.db2.gz YJBNVXBXTQYEHY-GFCCVEGCSA-N 1 0 309.479 3.238 10 70 DGIERO CSc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1F ZINC000159504039 197358765 /nfs/dbraw/zinc/35/87/65/197358765.db2.gz TWKQQHZIHMNWFA-GFCCVEGCSA-N 1 0 310.438 3.211 10 70 DGIERO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000161224525 197476643 /nfs/dbraw/zinc/47/66/43/197476643.db2.gz VXXKINUQAKTPRA-CQSZACIVSA-N 1 0 308.853 3.421 10 70 DGIERO C[C@H]1C[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000159842335 432698300 /nfs/dbraw/zinc/69/83/00/432698300.db2.gz HUACREJJIUQRDM-SMDDNHRTSA-N 1 0 319.392 3.046 10 70 DGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565677 432686354 /nfs/dbraw/zinc/68/63/54/432686354.db2.gz NMEQBBOJNUMBRX-GXSJLCMTSA-N 1 0 301.217 3.079 10 70 DGIERO Cc1ccc(/C=C/CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161216603 432767204 /nfs/dbraw/zinc/76/72/04/432767204.db2.gz JIUARHPVBYCQQU-OZZQIWQLSA-N 1 0 300.446 3.243 10 70 DGIERO C[C@@H]1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000161276964 432769184 /nfs/dbraw/zinc/76/91/84/432769184.db2.gz BZDJHRSQUQYZOU-NJAFHUGGSA-N 1 0 302.462 3.102 10 70 DGIERO CCC[C@@H](C(=O)NCCCSc1ccc(F)cc1)[NH+](C)C ZINC000161441725 432779595 /nfs/dbraw/zinc/77/95/95/432779595.db2.gz YCZFVTIVLBAPFS-HNNXBMFYSA-N 1 0 312.454 3.154 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000160809691 432742697 /nfs/dbraw/zinc/74/26/97/432742697.db2.gz JCICLAWOXBYMHL-SFHVURJKSA-N 1 0 302.418 3.367 10 70 DGIERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)COCC(C)C ZINC000160117675 292807559 /nfs/dbraw/zinc/80/75/59/292807559.db2.gz LQTLCESPXILLSX-LEHPZIBWSA-N 1 0 311.853 3.366 10 70 DGIERO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160584601 292817886 /nfs/dbraw/zinc/81/78/86/292817886.db2.gz PPKOXEXCVXAFDP-OAQYLSRUSA-N 1 0 322.452 3.296 10 70 DGIERO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000160090229 524098690 /nfs/dbraw/zinc/09/86/90/524098690.db2.gz HVAWPXPXNRPGPD-CQSZACIVSA-N 1 0 306.475 3.186 10 70 DGIERO CS(=O)(=O)CCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000161351939 400740033 /nfs/dbraw/zinc/74/00/33/400740033.db2.gz KOYXJEIRKLYBCX-HNNXBMFYSA-N 1 0 315.866 3.206 10 70 DGIERO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)CC[C@@H]21 ZINC000159999008 432702548 /nfs/dbraw/zinc/70/25/48/432702548.db2.gz GHURGFSAPCLLPR-WBMJQRKESA-N 1 0 317.383 3.434 10 70 DGIERO CCS[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000160523864 432725116 /nfs/dbraw/zinc/72/51/16/432725116.db2.gz YHCREKDECVKJES-HUUCEWRRSA-N 1 0 300.512 3.001 10 70 DGIERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000159438170 432684034 /nfs/dbraw/zinc/68/40/34/432684034.db2.gz CXHRPIIATDDABL-MAUKXSAKSA-N 1 0 316.449 3.105 10 70 DGIERO CCC[C@@H](C(=O)N1CC=C(c2ccccc2F)CC1)[NH+](C)C ZINC000159621841 432690331 /nfs/dbraw/zinc/69/03/31/432690331.db2.gz BEBIRGYQQAZBNG-KRWDZBQOSA-N 1 0 304.409 3.172 10 70 DGIERO CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160936912 432751145 /nfs/dbraw/zinc/75/11/45/432751145.db2.gz FCQDIJGLENAHCU-FGTMMUONSA-N 1 0 302.462 3.422 10 70 DGIERO C[N@H+](CCN(Cc1cccnc1)C1CC1)Cc1ccc(F)cc1 ZINC000161157761 432763333 /nfs/dbraw/zinc/76/33/33/432763333.db2.gz GHRACDWDPCHWNM-UHFFFAOYSA-N 1 0 313.420 3.317 10 70 DGIERO CCC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161167713 432763361 /nfs/dbraw/zinc/76/33/61/432763361.db2.gz OKTKISSJTKWVAK-GFCCVEGCSA-N 1 0 304.312 3.254 10 70 DGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000161325500 432773643 /nfs/dbraw/zinc/77/36/43/432773643.db2.gz SPXLYHMRWMJYEZ-ZDUSSCGKSA-N 1 0 322.815 3.470 10 70 DGIERO CC(=O)NC1CCC([NH2+]CCCCOCc2ccccc2)CC1 ZINC000161387210 432776012 /nfs/dbraw/zinc/77/60/12/432776012.db2.gz OMFHVJPJAFJVOC-UHFFFAOYSA-N 1 0 318.461 3.020 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000161225331 529372684 /nfs/dbraw/zinc/37/26/84/529372684.db2.gz FIKXJZVIMAYVCF-INIZCTEOSA-N 1 0 313.463 3.019 10 70 DGIERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160848900 197443766 /nfs/dbraw/zinc/44/37/66/197443766.db2.gz DHUMUMHTTXBQSS-VQIMIIECSA-N 1 0 302.462 3.306 10 70 DGIERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160339050 197401644 /nfs/dbraw/zinc/40/16/44/197401644.db2.gz ZJMJEWVGOVFZKC-YGRLFVJLSA-N 1 0 321.218 3.264 10 70 DGIERO CCc1ccc([C@@H](C)CC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000159538757 400730205 /nfs/dbraw/zinc/73/02/05/400730205.db2.gz HITFRKKITQEEOT-HNNXBMFYSA-N 1 0 302.462 3.295 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000159760335 432696095 /nfs/dbraw/zinc/69/60/95/432696095.db2.gz IMGCBPPNTXOZGI-GASCZTMLSA-N 1 0 323.506 3.186 10 70 DGIERO CC(C)CO[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000160170483 432710147 /nfs/dbraw/zinc/71/01/47/432710147.db2.gz HQACDNVCNLYAPN-GOSISDBHSA-N 1 0 308.441 3.004 10 70 DGIERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccn1 ZINC000159366608 432682031 /nfs/dbraw/zinc/68/20/31/432682031.db2.gz XJHGFKHKZYJZPZ-OLZOCXBDSA-N 1 0 302.809 3.060 10 70 DGIERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000159435444 432682928 /nfs/dbraw/zinc/68/29/28/432682928.db2.gz ZEYYTAZXSKXLFF-GJZGRUSLSA-N 1 0 314.404 3.490 10 70 DGIERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000159438443 432683880 /nfs/dbraw/zinc/68/38/80/432683880.db2.gz CXHRPIIATDDABL-CRAIPNDOSA-N 1 0 316.449 3.105 10 70 DGIERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000159435617 432684183 /nfs/dbraw/zinc/68/41/83/432684183.db2.gz ZEYYTAZXSKXLFF-LSDHHAIUSA-N 1 0 314.404 3.490 10 70 DGIERO CCN(Cc1ccccn1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000161195502 432764609 /nfs/dbraw/zinc/76/46/09/432764609.db2.gz LHDRQTILXGKNCD-HOTGVXAUSA-N 1 0 311.429 3.169 10 70 DGIERO C[C@@H](c1ccccn1)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161189890 432764648 /nfs/dbraw/zinc/76/46/48/432764648.db2.gz VGJWSBAZMSHEFE-HNNXBMFYSA-N 1 0 301.409 3.346 10 70 DGIERO CCC[C@@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)[NH+](C)C ZINC000161334896 432772466 /nfs/dbraw/zinc/77/24/66/432772466.db2.gz DFWYLGKNSUXKQF-KBPBESRZSA-N 1 0 310.438 3.209 10 70 DGIERO C[C@@H](c1nc(Cc2ccccc2)no1)N1CCS[C@@H](C)C1 ZINC000160585189 432730143 /nfs/dbraw/zinc/73/01/43/432730143.db2.gz NBNAMGXMJLSPNK-STQMWFEESA-N 1 0 303.431 3.159 10 70 DGIERO Fc1cc(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000160819890 432744573 /nfs/dbraw/zinc/74/45/73/432744573.db2.gz GCINAPPLCPDOTE-CQSZACIVSA-N 1 0 307.752 3.409 10 70 DGIERO CCCC(O)(CCC)CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161496540 432783363 /nfs/dbraw/zinc/78/33/63/432783363.db2.gz RGHTYDPEHXEFJM-QGZVFWFLSA-N 1 0 324.509 3.185 10 70 DGIERO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000159576507 546055421 /nfs/dbraw/zinc/05/54/21/546055421.db2.gz VPZUCXITVJPZAV-RBUKOAKNSA-N 1 0 324.424 3.005 10 70 DGIERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(F)c1 ZINC000159794366 197365016 /nfs/dbraw/zinc/36/50/16/197365016.db2.gz MOVMUZBJOUDNOK-VIFPVBQESA-N 1 0 301.287 3.429 10 70 DGIERO OCc1cccc(C[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000217843922 165378281 /nfs/dbraw/zinc/37/82/81/165378281.db2.gz RLPIPWOVFVTIDL-UHFFFAOYSA-N 1 0 324.193 3.370 10 70 DGIERO Cc1cc(F)cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000161190599 228250821 /nfs/dbraw/zinc/25/08/21/228250821.db2.gz XUAZUQOGFSFRLR-UHFFFAOYSA-N 1 0 307.413 3.376 10 70 DGIERO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159475319 278619064 /nfs/dbraw/zinc/61/90/64/278619064.db2.gz ICCZWOXDMKHGSR-FZKQIMNGSA-N 1 0 304.409 3.051 10 70 DGIERO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159475685 279767644 /nfs/dbraw/zinc/76/76/44/279767644.db2.gz ICCZWOXDMKHGSR-UGSOOPFHSA-N 1 0 304.409 3.051 10 70 DGIERO CC(C)[N@H+](CCCOCC(F)(F)F)CCc1nccs1 ZINC000159883912 432699641 /nfs/dbraw/zinc/69/96/41/432699641.db2.gz DMIKGIWMZZTGOD-UHFFFAOYSA-N 1 0 310.385 3.365 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000159898458 432701033 /nfs/dbraw/zinc/70/10/33/432701033.db2.gz ZNWWUAYWKJGLQI-HUUCEWRRSA-N 1 0 323.506 3.091 10 70 DGIERO COc1ccc(OC)c([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000160013870 432705414 /nfs/dbraw/zinc/70/54/14/432705414.db2.gz LILGJNYEXRLHGH-KEYYUXOJSA-N 1 0 306.450 3.083 10 70 DGIERO CC[N@H+](CCC(=O)NCC1CCCCC1)CCc1nccs1 ZINC000159424427 432682966 /nfs/dbraw/zinc/68/29/66/432682966.db2.gz FGODNBIFXUXSKL-UHFFFAOYSA-N 1 0 323.506 3.094 10 70 DGIERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000159478003 432684726 /nfs/dbraw/zinc/68/47/26/432684726.db2.gz DNYQMMMSZUTFQW-ZIAGYGMSSA-N 1 0 304.438 3.304 10 70 DGIERO COc1cc(C)ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000159475773 432685488 /nfs/dbraw/zinc/68/54/88/432685488.db2.gz HHSMVAWIYLSFON-UHFFFAOYSA-N 1 0 319.449 3.246 10 70 DGIERO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000161224402 432767388 /nfs/dbraw/zinc/76/73/88/432767388.db2.gz VXXKINUQAKTPRA-AWEZNQCLSA-N 1 0 308.853 3.421 10 70 DGIERO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000161247016 432767697 /nfs/dbraw/zinc/76/76/97/432767697.db2.gz LBBSVLHZOMPEFF-QFBILLFUSA-N 1 0 320.452 3.464 10 70 DGIERO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000161379598 432776588 /nfs/dbraw/zinc/77/65/88/432776588.db2.gz PGGOHTAOMJNTPV-XJKSGUPXSA-N 1 0 321.465 3.022 10 70 DGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533593 432727213 /nfs/dbraw/zinc/72/72/13/432727213.db2.gz OWXATTCMDFZZDE-UWVGGRQHSA-N 1 0 301.217 3.079 10 70 DGIERO CCc1cccc(CC(=O)N[C@H](C)CCC[NH+](CC)CC)c1 ZINC000160083505 292806922 /nfs/dbraw/zinc/80/69/22/292806922.db2.gz WRUOIOSTBRBCPU-MRXNPFEDSA-N 1 0 304.478 3.418 10 70 DGIERO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159559118 301209602 /nfs/dbraw/zinc/20/96/02/301209602.db2.gz OUBIBCMTJKYJDS-KRWDZBQOSA-N 1 0 316.445 3.119 10 70 DGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000160807264 534422387 /nfs/dbraw/zinc/42/23/87/534422387.db2.gz FKLBTUCLTLPIBK-RHSMWYFYSA-N 1 0 309.837 3.346 10 70 DGIERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000160355213 528652439 /nfs/dbraw/zinc/65/24/39/528652439.db2.gz BGLAHDRJOLDBQM-XIRDDKMYSA-N 1 0 311.491 3.430 10 70 DGIERO CCOC[C@@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000161328694 528912392 /nfs/dbraw/zinc/91/23/92/528912392.db2.gz ANLYQPIDDGFCEF-IUCAKERBSA-N 1 0 310.196 3.181 10 70 DGIERO CCOC[C@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000161328829 529009063 /nfs/dbraw/zinc/00/90/63/529009063.db2.gz ANLYQPIDDGFCEF-RKDXNWHRSA-N 1 0 310.196 3.181 10 70 DGIERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000159479206 546054336 /nfs/dbraw/zinc/05/43/36/546054336.db2.gz NFDXJMQFDOAOQQ-AAEUAGOBSA-N 1 0 317.260 3.365 10 70 DGIERO Cn1cc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c(C(F)(F)F)n1 ZINC000159784254 546056292 /nfs/dbraw/zinc/05/62/92/546056292.db2.gz GOAATUKWLQNABN-CYBMUJFWSA-N 1 0 313.298 3.355 10 70 DGIERO Cc1nc2cc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2o1 ZINC000159453630 197355224 /nfs/dbraw/zinc/35/52/24/197355224.db2.gz ZQOXJYGJTWNFTN-BXUZGUMPSA-N 1 0 316.405 3.083 10 70 DGIERO Cc1ccc(C(=O)CC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000159441383 197354521 /nfs/dbraw/zinc/35/45/21/197354521.db2.gz SSJKQJSDFKILAA-UHFFFAOYSA-N 1 0 311.429 3.177 10 70 DGIERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000160452378 164590513 /nfs/dbraw/zinc/59/05/13/164590513.db2.gz NUFGCDQVYGLGGV-GHMZBOCLSA-N 1 0 300.349 3.249 10 70 DGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000159683098 432692528 /nfs/dbraw/zinc/69/25/28/432692528.db2.gz VGWSUDNPCHTQLY-ONGXEEELSA-N 1 0 301.217 3.079 10 70 DGIERO CC[C@@H]1CCCCN1C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159791522 432696340 /nfs/dbraw/zinc/69/63/40/432696340.db2.gz ZMBDFBIATRABCE-OAHLLOKOSA-N 1 0 323.506 3.187 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)Cc1cn2ccccc2n1 ZINC000159809988 432698261 /nfs/dbraw/zinc/69/82/61/432698261.db2.gz YGAVWVQCWYZVKW-UHFFFAOYSA-N 1 0 300.431 3.244 10 70 DGIERO COC(=O)c1ccc(C[N@H+](CCc2nccs2)C(C)C)s1 ZINC000159879481 432699106 /nfs/dbraw/zinc/69/91/06/432699106.db2.gz ZLYQSDZTGVFNOQ-UHFFFAOYSA-N 1 0 324.471 3.444 10 70 DGIERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000159387451 432681863 /nfs/dbraw/zinc/68/18/63/432681863.db2.gz RPVQUOJSCDYLIX-RDTXWAMCSA-N 1 0 307.434 3.296 10 70 DGIERO CC(C)(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccc(F)c1 ZINC000161196182 432764907 /nfs/dbraw/zinc/76/49/07/432764907.db2.gz HUAGCILSJFKSGW-JQFCIGGWSA-N 1 0 318.436 3.140 10 70 DGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000161247223 432768816 /nfs/dbraw/zinc/76/88/16/432768816.db2.gz WWTCEBKZRPCGIY-YCVPZWQRSA-N 1 0 304.409 3.074 10 70 DGIERO C[C@@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000161277205 432769692 /nfs/dbraw/zinc/76/96/92/432769692.db2.gz BZDJHRSQUQYZOU-NXHRZFHOSA-N 1 0 302.462 3.102 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000161338775 432772881 /nfs/dbraw/zinc/77/28/81/432772881.db2.gz GDWHEIGLZBXMKS-CQSZACIVSA-N 1 0 304.825 3.331 10 70 DGIERO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000161395250 432776749 /nfs/dbraw/zinc/77/67/49/432776749.db2.gz RNONDLOUUVPMQJ-PBHICJAKSA-N 1 0 309.837 3.476 10 70 DGIERO CCC[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)[NH+](C)C ZINC000161411812 432778047 /nfs/dbraw/zinc/77/80/47/432778047.db2.gz UWACPKCRPRGHBP-LBPRGKRZSA-N 1 0 304.312 3.254 10 70 DGIERO C[C@@H]1CO[C@H](c2ccccc2)CN1CCC[NH+]1CCCCC1 ZINC000160865157 432745492 /nfs/dbraw/zinc/74/54/92/432745492.db2.gz WSZCWVBWLBVRJX-MJGOQNOKSA-N 1 0 302.462 3.324 10 70 DGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1cccc(Cl)c1)CC2 ZINC000160750226 534422235 /nfs/dbraw/zinc/42/22/35/534422235.db2.gz AFIVOMRZHRKFAI-RHSMWYFYSA-N 1 0 309.837 3.346 10 70 DGIERO Cn1cc(C[NH2+][C@H]2CCc3ccc(F)cc32)c(C(F)(F)F)n1 ZINC000159784390 546056164 /nfs/dbraw/zinc/05/61/64/546056164.db2.gz GOAATUKWLQNABN-ZDUSSCGKSA-N 1 0 313.298 3.355 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000160517490 529507916 /nfs/dbraw/zinc/50/79/16/529507916.db2.gz HGOKVDLWIIOLSW-CQSZACIVSA-N 1 0 319.232 3.025 10 70 DGIERO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160131360 197388111 /nfs/dbraw/zinc/38/81/11/197388111.db2.gz MUYFXGYDRMRXJR-KBPBESRZSA-N 1 0 321.465 3.035 10 70 DGIERO CCc1ccc([C@H](C)CC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000159538849 400730143 /nfs/dbraw/zinc/73/01/43/400730143.db2.gz HITFRKKITQEEOT-OAHLLOKOSA-N 1 0 302.462 3.295 10 70 DGIERO c1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000159713812 432694311 /nfs/dbraw/zinc/69/43/11/432694311.db2.gz CUHKCFJXUYUTTH-MRXNPFEDSA-N 1 0 321.380 3.400 10 70 DGIERO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000159717108 432694352 /nfs/dbraw/zinc/69/43/52/432694352.db2.gz JZXMKPDQMOQZIM-JKIFEVAISA-N 1 0 301.434 3.018 10 70 DGIERO CO[C@]1(C[NH2+][C@H]2CCCc3sc(Cl)cc32)CCOC1 ZINC000160099354 432706112 /nfs/dbraw/zinc/70/61/12/432706112.db2.gz YBYZDHPMKKOBQW-FZMZJTMJSA-N 1 0 301.839 3.174 10 70 DGIERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160106586 432706567 /nfs/dbraw/zinc/70/65/67/432706567.db2.gz QYEDLJBTWWWFTR-INIZCTEOSA-N 1 0 309.417 3.022 10 70 DGIERO CC(C)CO[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000160170574 432709583 /nfs/dbraw/zinc/70/95/83/432709583.db2.gz HQACDNVCNLYAPN-SFHVURJKSA-N 1 0 308.441 3.004 10 70 DGIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000160365490 432717356 /nfs/dbraw/zinc/71/73/56/432717356.db2.gz QGAHDYGLBAXPER-CHWSQXEVSA-N 1 0 306.841 3.070 10 70 DGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC000160403759 432719239 /nfs/dbraw/zinc/71/92/39/432719239.db2.gz WYOGFNCQXOIQLN-WMLDXEAASA-N 1 0 306.425 3.166 10 70 DGIERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccn1 ZINC000159366323 432682231 /nfs/dbraw/zinc/68/22/31/432682231.db2.gz XJHGFKHKZYJZPZ-CHWSQXEVSA-N 1 0 302.809 3.060 10 70 DGIERO O=C1CCCN1CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000159491571 432685706 /nfs/dbraw/zinc/68/57/06/432685706.db2.gz JBZSDCYQWRCHAT-OAHLLOKOSA-N 1 0 322.836 3.156 10 70 DGIERO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C)CC2)c2ccccc21 ZINC000159569990 432688033 /nfs/dbraw/zinc/68/80/33/432688033.db2.gz UDYQGTQOTKFQHK-DYVFJYSZSA-N 1 0 301.434 3.018 10 70 DGIERO Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)o2)cc1 ZINC000159661572 432691456 /nfs/dbraw/zinc/69/14/56/432691456.db2.gz IPZOJMGUBULNRF-HOCLYGCPSA-N 1 0 312.413 3.341 10 70 DGIERO CC[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065287 432757965 /nfs/dbraw/zinc/75/79/65/432757965.db2.gz GMARQCHYBZCPGR-PWSUYJOCSA-N 1 0 314.414 3.182 10 70 DGIERO Cc1c2cc(C)ccc2[nH]c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161246290 432768327 /nfs/dbraw/zinc/76/83/27/432768327.db2.gz HIYOAXPKAZOQRT-UHFFFAOYSA-N 1 0 311.429 3.141 10 70 DGIERO Cc1nn(C)c(C)c1[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161350049 432775064 /nfs/dbraw/zinc/77/50/64/432775064.db2.gz LXQSBKDAYXCFFD-QGZVFWFLSA-N 1 0 304.482 3.050 10 70 DGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(Cl)cccc2Cl)C1 ZINC000161386236 432776635 /nfs/dbraw/zinc/77/66/35/432776635.db2.gz RXCOQBIWWCNKSK-MFKMUULPSA-N 1 0 315.244 3.452 10 70 DGIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCN1CCOCC1 ZINC000159875086 292802176 /nfs/dbraw/zinc/80/21/76/292802176.db2.gz QVYMPOLUSFTZCR-SQFISAMPSA-N 1 0 308.853 3.055 10 70 DGIERO CCC[C@@H](C(=O)N(CC)Cc1ccc(Cl)s1)[NH+](C)C ZINC000161399360 292834442 /nfs/dbraw/zinc/83/44/42/292834442.db2.gz ONIPFPROSJRMBU-LBPRGKRZSA-N 1 0 302.871 3.480 10 70 DGIERO CC(=O)CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000160050222 197381836 /nfs/dbraw/zinc/38/18/36/197381836.db2.gz AARZIVLPFHDKSF-UHFFFAOYSA-N 1 0 311.425 3.440 10 70 DGIERO COCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000159873837 197369606 /nfs/dbraw/zinc/36/96/06/197369606.db2.gz SOVWSMWVHGWSAU-MRXNPFEDSA-N 1 0 319.449 3.075 10 70 DGIERO C[NH+](C)CC1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1 ZINC000160335921 228246067 /nfs/dbraw/zinc/24/60/67/228246067.db2.gz KIGFVDBZENLHCL-UHFFFAOYSA-N 1 0 309.498 3.375 10 70 DGIERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc2c(c1)OCCO2 ZINC000160512420 276636970 /nfs/dbraw/zinc/63/69/70/276636970.db2.gz YLQHJKDFACAJCW-JYJNAYRXSA-N 1 0 305.418 3.050 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000159898550 432701074 /nfs/dbraw/zinc/70/10/74/432701074.db2.gz ZNWWUAYWKJGLQI-LSDHHAIUSA-N 1 0 323.506 3.091 10 70 DGIERO CCc1cnc(CN(C)CC[N@H+](C)Cc2ccc(F)cc2)s1 ZINC000159971950 432703836 /nfs/dbraw/zinc/70/38/36/432703836.db2.gz FIRKFGYVHLQUOD-UHFFFAOYSA-N 1 0 321.465 3.408 10 70 DGIERO Cc1ccc(C[C@H](C)N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000159638087 432690618 /nfs/dbraw/zinc/69/06/18/432690618.db2.gz WYPGOJVJMJRCGB-UXDRXVOSSA-N 1 0 314.473 3.305 10 70 DGIERO CCOC[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159677711 432691233 /nfs/dbraw/zinc/69/12/33/432691233.db2.gz UEBDLWCCAFAIFJ-KRWDZBQOSA-N 1 0 308.441 3.006 10 70 DGIERO CC[C@](C)(O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000161037567 432756265 /nfs/dbraw/zinc/75/62/65/432756265.db2.gz DWEKRTYNUUBYBS-IRXDYDNUSA-N 1 0 311.853 3.246 10 70 DGIERO CC[C@@](C)(O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000161039939 432756464 /nfs/dbraw/zinc/75/64/64/432756464.db2.gz VFISYXUXCVXGMP-GOSISDBHSA-N 1 0 319.424 3.241 10 70 DGIERO CCC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000161341964 432774260 /nfs/dbraw/zinc/77/42/60/432774260.db2.gz NTTJHZOCZDTTQO-ZDUSSCGKSA-N 1 0 302.340 3.052 10 70 DGIERO CCC[C@@H](C(=O)NCc1ccc2cc(OC)ccc2c1)[NH+](C)C ZINC000161355224 432774835 /nfs/dbraw/zinc/77/48/35/432774835.db2.gz KIOBFXQFCXCELP-SFHVURJKSA-N 1 0 314.429 3.195 10 70 DGIERO CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000161435289 432780237 /nfs/dbraw/zinc/78/02/37/432780237.db2.gz TZNCBNXGSWWUIR-OKZBNKHCSA-N 1 0 302.462 3.374 10 70 DGIERO CCC([NH3+])(CC)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000160530088 432727359 /nfs/dbraw/zinc/72/73/59/432727359.db2.gz WIFVEWUBVMJMPI-UHFFFAOYSA-N 1 0 304.365 3.333 10 70 DGIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160576476 432728933 /nfs/dbraw/zinc/72/89/33/432728933.db2.gz RNXBRAPDWCLDCQ-BPLDGKMQSA-N 1 0 322.399 3.059 10 70 DGIERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000160793001 432743070 /nfs/dbraw/zinc/74/30/70/432743070.db2.gz HGATYSYOAPFPHN-ZDUSSCGKSA-N 1 0 314.433 3.236 10 70 DGIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCNC(=O)c1ccco1 ZINC000159919248 292803665 /nfs/dbraw/zinc/80/36/65/292803665.db2.gz YNILLCWHILAVAJ-QBFSEMIESA-N 1 0 318.804 3.356 10 70 DGIERO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000159576260 546054512 /nfs/dbraw/zinc/05/45/12/546054512.db2.gz VPZUCXITVJPZAV-RTBURBONSA-N 1 0 324.424 3.005 10 70 DGIERO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159475582 197356620 /nfs/dbraw/zinc/35/66/20/197356620.db2.gz ICCZWOXDMKHGSR-ACJLOTCBSA-N 1 0 304.409 3.051 10 70 DGIERO Cc1nc2cc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2o1 ZINC000159453772 197355417 /nfs/dbraw/zinc/35/54/17/197355417.db2.gz ZQOXJYGJTWNFTN-RISCZKNCSA-N 1 0 316.405 3.083 10 70 DGIERO CC[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000159536390 400730146 /nfs/dbraw/zinc/73/01/46/400730146.db2.gz LWZJTJRXWPGOCE-INIZCTEOSA-N 1 0 302.462 3.431 10 70 DGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000159683258 432692350 /nfs/dbraw/zinc/69/23/50/432692350.db2.gz VGWSUDNPCHTQLY-MWLCHTKSSA-N 1 0 301.217 3.079 10 70 DGIERO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000159716858 432693175 /nfs/dbraw/zinc/69/31/75/432693175.db2.gz JZXMKPDQMOQZIM-KEYYUXOJSA-N 1 0 301.434 3.018 10 70 DGIERO CC[N@H+](C)C[C@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159758535 432696165 /nfs/dbraw/zinc/69/61/65/432696165.db2.gz PRZDANJNVMEUNO-GFCCVEGCSA-N 1 0 305.372 3.291 10 70 DGIERO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000159805659 432697443 /nfs/dbraw/zinc/69/74/43/432697443.db2.gz DJGNLODHQTUKJR-VKJFTORMSA-N 1 0 315.461 3.266 10 70 DGIERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160106724 432706923 /nfs/dbraw/zinc/70/69/23/432706923.db2.gz QYEDLJBTWWWFTR-MRXNPFEDSA-N 1 0 309.417 3.022 10 70 DGIERO CCc1cccc(CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c1 ZINC000160083413 432707401 /nfs/dbraw/zinc/70/74/01/432707401.db2.gz WRUOIOSTBRBCPU-INIZCTEOSA-N 1 0 304.478 3.418 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000159424645 432682917 /nfs/dbraw/zinc/68/29/17/432682917.db2.gz QXPBWVBGQGMTNE-APWZRJJASA-N 1 0 320.477 3.205 10 70 DGIERO Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)o2)cc1 ZINC000159661451 432691483 /nfs/dbraw/zinc/69/14/83/432691483.db2.gz IPZOJMGUBULNRF-GOEBONIOSA-N 1 0 312.413 3.341 10 70 DGIERO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000160873712 432747266 /nfs/dbraw/zinc/74/72/66/432747266.db2.gz XFPWSILNVLJXCU-AWEZNQCLSA-N 1 0 317.385 3.160 10 70 DGIERO CCOc1ccccc1C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000161046878 432756441 /nfs/dbraw/zinc/75/64/41/432756441.db2.gz WCNWMUPXPGJYNA-OAHLLOKOSA-N 1 0 315.417 3.231 10 70 DGIERO CCC(CC)(C[NH3+])C(=O)NCc1ccc(-c2csc(C)n2)o1 ZINC000161169443 432762835 /nfs/dbraw/zinc/76/28/35/432762835.db2.gz PPCHXCIQHODVJW-UHFFFAOYSA-N 1 0 321.446 3.093 10 70 DGIERO Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161349925 432774940 /nfs/dbraw/zinc/77/49/40/432774940.db2.gz LXQSBKDAYXCFFD-KRWDZBQOSA-N 1 0 304.482 3.050 10 70 DGIERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000161393149 432776511 /nfs/dbraw/zinc/77/65/11/432776511.db2.gz CRYHQJZIWVXJFY-CYBMUJFWSA-N 1 0 301.434 3.245 10 70 DGIERO CN(C(=O)c1ccc(-c2ccccc2)n1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161391129 432776672 /nfs/dbraw/zinc/77/66/72/432776672.db2.gz YQRJUJPFMZUVCX-SJPCQFCGSA-N 1 0 323.440 3.047 10 70 DGIERO CCC[C@H](C(=O)N(CC)Cc1ccc(Cl)s1)[NH+](C)C ZINC000161399476 432776993 /nfs/dbraw/zinc/77/69/93/432776993.db2.gz ONIPFPROSJRMBU-GFCCVEGCSA-N 1 0 302.871 3.480 10 70 DGIERO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1nc(C(C)C)no1)CC2 ZINC000160780868 432740003 /nfs/dbraw/zinc/74/00/03/432740003.db2.gz SWCNGTJJIVNOOY-INIZCTEOSA-N 1 0 315.417 3.411 10 70 DGIERO C[C@@H]1CO[C@@H](c2ccccc2)CN1CCC[NH+]1CCCCC1 ZINC000160865409 432746685 /nfs/dbraw/zinc/74/66/85/432746685.db2.gz WSZCWVBWLBVRJX-IEBWSBKVSA-N 1 0 302.462 3.324 10 70 DGIERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000160355478 528655255 /nfs/dbraw/zinc/65/52/55/528655255.db2.gz BGLAHDRJOLDBQM-BHYGNILZSA-N 1 0 311.491 3.430 10 70 DGIERO CC(C)[N@H+](Cc1noc(-c2ccsc2)n1)C1CCOCC1 ZINC000160899469 528967210 /nfs/dbraw/zinc/96/72/10/528967210.db2.gz SVMPMIQILRXGQI-UHFFFAOYSA-N 1 0 307.419 3.188 10 70 DGIERO CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCN1CCCC1=O ZINC000159557940 186126994 /nfs/dbraw/zinc/12/69/94/186126994.db2.gz GKYLANYRICGTRT-GOSISDBHSA-N 1 0 302.462 3.246 10 70 DGIERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000159765106 197362277 /nfs/dbraw/zinc/36/22/77/197362277.db2.gz UKIHNUXJYNSYSD-QGZVFWFLSA-N 1 0 323.440 3.397 10 70 DGIERO COCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161072418 277204269 /nfs/dbraw/zinc/20/42/69/277204269.db2.gz SVFUIVRONYPDLY-HUUCEWRRSA-N 1 0 317.351 3.240 10 70 DGIERO CC(C)COc1ccc([C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000159766500 432695232 /nfs/dbraw/zinc/69/52/32/432695232.db2.gz MEFRJYYSGFPZFY-HNNXBMFYSA-N 1 0 306.450 3.239 10 70 DGIERO CC[NH+](CC)[C@@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159754746 432695258 /nfs/dbraw/zinc/69/52/58/432695258.db2.gz MURXFVHOICSZIL-CYBMUJFWSA-N 1 0 305.372 3.434 10 70 DGIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCN1CCCC1=O ZINC000159898119 432700998 /nfs/dbraw/zinc/70/09/98/432700998.db2.gz FGQFCJGMYMMYTD-OWBHPGMISA-N 1 0 306.837 3.345 10 70 DGIERO COc1ccc(OCC[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159946650 432703585 /nfs/dbraw/zinc/70/35/85/432703585.db2.gz KODGQAFECCLWHK-UHFFFAOYSA-N 1 0 320.458 3.484 10 70 DGIERO Cc1cc(C(=O)NCCC[NH3+])sc1-c1cccc(Cl)c1 ZINC000160014151 432705181 /nfs/dbraw/zinc/70/51/81/432705181.db2.gz XRBWMMVLNSSHSK-UHFFFAOYSA-N 1 0 308.834 3.456 10 70 DGIERO CCS[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000160523747 432725342 /nfs/dbraw/zinc/72/53/42/432725342.db2.gz YHCREKDECVKJES-CABCVRRESA-N 1 0 300.512 3.001 10 70 DGIERO OCC1([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000159551434 432686609 /nfs/dbraw/zinc/68/66/09/432686609.db2.gz LPMJNVKGQHXQSD-UHFFFAOYSA-N 1 0 313.241 3.339 10 70 DGIERO C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C)CC2)c2ccccc21 ZINC000159570135 432688926 /nfs/dbraw/zinc/68/89/26/432688926.db2.gz UDYQGTQOTKFQHK-GUYCJALGSA-N 1 0 301.434 3.018 10 70 DGIERO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000160873831 432748206 /nfs/dbraw/zinc/74/82/06/432748206.db2.gz XFPWSILNVLJXCU-CQSZACIVSA-N 1 0 317.385 3.160 10 70 DGIERO CC[N@@H+](CCc1nccs1)CCN(C)Cc1ccc(F)cc1 ZINC000161019055 432754346 /nfs/dbraw/zinc/75/43/46/432754346.db2.gz QZPGWCPCRXPVQF-UHFFFAOYSA-N 1 0 321.465 3.279 10 70 DGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000161325374 432773714 /nfs/dbraw/zinc/77/37/14/432773714.db2.gz SPXLYHMRWMJYEZ-CYBMUJFWSA-N 1 0 322.815 3.470 10 70 DGIERO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000161373438 432776915 /nfs/dbraw/zinc/77/69/15/432776915.db2.gz VVLQRIUMDYFUQJ-FGTMMUONSA-N 1 0 324.509 3.305 10 70 DGIERO Cc1csc(N2CCC([NH2+]C[C@H]3CCO[C@@H]3C(C)C)CC2)n1 ZINC000160799154 432742507 /nfs/dbraw/zinc/74/25/07/432742507.db2.gz QKKRTMDTVZFHML-GDBMZVCRSA-N 1 0 323.506 3.071 10 70 DGIERO CCC[C@H](C(=O)NCc1ccc2cc(OC)ccc2c1)[NH+](C)C ZINC000161355320 292834032 /nfs/dbraw/zinc/83/40/32/292834032.db2.gz KIOBFXQFCXCELP-GOSISDBHSA-N 1 0 314.429 3.195 10 70 DGIERO CC[C@H](C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1)[NH+](C)C ZINC000160477833 523760003 /nfs/dbraw/zinc/76/00/03/523760003.db2.gz KHUTUCARKAHKNJ-UKRRQHHQSA-N 1 0 323.506 3.313 10 70 DGIERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000216868651 546263399 /nfs/dbraw/zinc/26/33/99/546263399.db2.gz WRCXXVWUAXOEHU-ARFHVFGLSA-N 1 0 324.262 3.200 10 70 DGIERO COC[C@@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159821823 197367371 /nfs/dbraw/zinc/36/73/71/197367371.db2.gz NNFCTRONTYOIRB-CJNGLKHVSA-N 1 0 322.836 3.191 10 70 DGIERO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159475454 197357294 /nfs/dbraw/zinc/35/72/94/197357294.db2.gz ICCZWOXDMKHGSR-SCLBCKFNSA-N 1 0 304.409 3.051 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000159760470 432694910 /nfs/dbraw/zinc/69/49/10/432694910.db2.gz IMGCBPPNTXOZGI-GJZGRUSLSA-N 1 0 323.506 3.186 10 70 DGIERO CC(C)[N@H+](CCC(=O)Nc1ccccc1)CCc1nccs1 ZINC000159816416 432698007 /nfs/dbraw/zinc/69/80/07/432698007.db2.gz RLMWMILJWLZWRL-UHFFFAOYSA-N 1 0 317.458 3.425 10 70 DGIERO CN(CCOc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160142733 432709143 /nfs/dbraw/zinc/70/91/43/432709143.db2.gz OVXBVMZWNBLOPQ-ZDUSSCGKSA-N 1 0 303.233 3.041 10 70 DGIERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(Cl)nc(C2CC2)n1 ZINC000160365619 432717907 /nfs/dbraw/zinc/71/79/07/432717907.db2.gz QGAHDYGLBAXPER-QWHCGFSZSA-N 1 0 306.841 3.070 10 70 DGIERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160459866 432720442 /nfs/dbraw/zinc/72/04/42/432720442.db2.gz WFMKHELHZACFHJ-OAGGEKHMSA-N 1 0 320.502 3.397 10 70 DGIERO CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000160937210 432751800 /nfs/dbraw/zinc/75/18/00/432751800.db2.gz FCQDIJGLENAHCU-OKZBNKHCSA-N 1 0 302.462 3.422 10 70 DGIERO CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(F)cc1 ZINC000161020388 432754641 /nfs/dbraw/zinc/75/46/41/432754641.db2.gz BGRMQIIZSQVZRF-JQFCIGGWSA-N 1 0 306.425 3.164 10 70 DGIERO CCC[C@H](C(=O)NCCCO[C@@H](C)c1ccccc1)[NH+](C)C ZINC000161308871 432771483 /nfs/dbraw/zinc/77/14/83/432771483.db2.gz HDYLCHDSSKOQQV-DOTOQJQBSA-N 1 0 306.450 3.001 10 70 DGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000161386355 432776833 /nfs/dbraw/zinc/77/68/33/432776833.db2.gz RXCOQBIWWCNKSK-GWCFXTLKSA-N 1 0 315.244 3.452 10 70 DGIERO CC(C)[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CCOCC1 ZINC000160609723 432732369 /nfs/dbraw/zinc/73/23/69/432732369.db2.gz XJVPTMVCLBFEPJ-UHFFFAOYSA-N 1 0 324.509 3.161 10 70 DGIERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000159424804 292792522 /nfs/dbraw/zinc/79/25/22/292792522.db2.gz QXPBWVBGQGMTNE-VQIMIIECSA-N 1 0 320.477 3.205 10 70 DGIERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)COCC(C)C ZINC000160117795 292807534 /nfs/dbraw/zinc/80/75/34/292807534.db2.gz LQTLCESPXILLSX-AAKUMTKESA-N 1 0 311.853 3.366 10 70 DGIERO CC[C@](C)(O)C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000160680165 529372810 /nfs/dbraw/zinc/37/28/10/529372810.db2.gz GRGJFYAMZCJSNY-IBGZPJMESA-N 1 0 315.461 3.390 10 70 DGIERO C[C@H](CNC(=O)[C@]1(C)CCCc2ccccc21)C[NH+]1CCCC1 ZINC000160610289 292818397 /nfs/dbraw/zinc/81/83/97/292818397.db2.gz JCVSGUORAACHOJ-OXQOHEQNSA-N 1 0 314.473 3.129 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)C1CCCCC1 ZINC000159847713 432697306 /nfs/dbraw/zinc/69/73/06/432697306.db2.gz PUOPGVNWEYHVRU-UHFFFAOYSA-N 1 0 323.506 3.187 10 70 DGIERO Cc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)o1 ZINC000160166469 432708677 /nfs/dbraw/zinc/70/86/77/432708677.db2.gz VKCPPTBCCAWGMV-UHFFFAOYSA-N 1 0 301.390 3.068 10 70 DGIERO C[C@@H](C(=O)N(C)c1cccnc1N(C)C)c1c(F)cccc1F ZINC000160376464 432717707 /nfs/dbraw/zinc/71/77/07/432717707.db2.gz YYXVOHAGOQCGJX-LLVKDONJSA-N 1 0 319.355 3.192 10 70 DGIERO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000160420851 432719748 /nfs/dbraw/zinc/71/97/48/432719748.db2.gz KBXQVIFBEATCBL-COXVUDFISA-N 1 0 306.425 3.260 10 70 DGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565548 432686153 /nfs/dbraw/zinc/68/61/53/432686153.db2.gz NMEQBBOJNUMBRX-MWLCHTKSSA-N 1 0 301.217 3.079 10 70 DGIERO CCC[C@@H](C(=O)NCCCO[C@H](C)c1ccccc1)[NH+](C)C ZINC000161308969 432771096 /nfs/dbraw/zinc/77/10/96/432771096.db2.gz HDYLCHDSSKOQQV-WBVHZDCISA-N 1 0 306.450 3.001 10 70 DGIERO CCC[C@@H](C(=O)NCCCO[C@@H](C)c1ccccc1)[NH+](C)C ZINC000161308749 432771434 /nfs/dbraw/zinc/77/14/34/432771434.db2.gz HDYLCHDSSKOQQV-RDJZCZTQSA-N 1 0 306.450 3.001 10 70 DGIERO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1Cl ZINC000160244802 292810694 /nfs/dbraw/zinc/81/06/94/292810694.db2.gz AWGOPRULKNRFGW-ZDUSSCGKSA-N 1 0 312.841 3.055 10 70 DGIERO CCSCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000159657108 521706526 /nfs/dbraw/zinc/70/65/26/521706526.db2.gz DZIZJKXRPSIHFD-UHFFFAOYSA-N 1 0 318.486 3.041 10 70 DGIERO Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000160388008 524177552 /nfs/dbraw/zinc/17/75/52/524177552.db2.gz KFCFKPJTGNNOOW-ZFWWWQNUSA-N 1 0 306.837 3.253 10 70 DGIERO Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000160388260 524177847 /nfs/dbraw/zinc/17/78/47/524177847.db2.gz KFCFKPJTGNNOOW-DZGCQCFKSA-N 1 0 306.837 3.253 10 70 DGIERO CC[NH+](CC)[C@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159754867 276120830 /nfs/dbraw/zinc/12/08/30/276120830.db2.gz MURXFVHOICSZIL-ZDUSSCGKSA-N 1 0 305.372 3.434 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)Cc1nc(-c2ccco2)no1 ZINC000159787175 432694978 /nfs/dbraw/zinc/69/49/78/432694978.db2.gz NCJZHAKRNWXMOI-UHFFFAOYSA-N 1 0 318.402 3.239 10 70 DGIERO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159770361 432696387 /nfs/dbraw/zinc/69/63/87/432696387.db2.gz DHANBDFCZPINQH-FZMZJTMJSA-N 1 0 316.214 3.181 10 70 DGIERO CCc1oc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1C ZINC000159842692 432697729 /nfs/dbraw/zinc/69/77/29/432697729.db2.gz KHIPLTOFBVZJBB-HNNXBMFYSA-N 1 0 300.402 3.183 10 70 DGIERO CC(C)[N@H+](CCCCCn1cccn1)CCc1nccs1 ZINC000159860496 432700015 /nfs/dbraw/zinc/70/00/15/432700015.db2.gz XHDIWYZTRYPBSC-UHFFFAOYSA-N 1 0 306.479 3.463 10 70 DGIERO Cc1cccc(NC(=O)CN(C)Cc2cccc(N(C)C)c2)c1 ZINC000159872549 432700027 /nfs/dbraw/zinc/70/00/27/432700027.db2.gz ZSVUMVYIQOVCGL-UHFFFAOYSA-N 1 0 311.429 3.132 10 70 DGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000159898234 432701972 /nfs/dbraw/zinc/70/19/72/432701972.db2.gz ZNWWUAYWKJGLQI-CABCVRRESA-N 1 0 323.506 3.091 10 70 DGIERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159913818 432702036 /nfs/dbraw/zinc/70/20/36/432702036.db2.gz STRITLJVRZYLDK-CVEARBPZSA-N 1 0 316.445 3.279 10 70 DGIERO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160460271 432720312 /nfs/dbraw/zinc/72/03/12/432720312.db2.gz WFMKHELHZACFHJ-OWCLPIDISA-N 1 0 320.502 3.397 10 70 DGIERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000159438301 432683311 /nfs/dbraw/zinc/68/33/11/432683311.db2.gz CXHRPIIATDDABL-QAPCUYQASA-N 1 0 316.449 3.105 10 70 DGIERO CCC[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)[NH+](C)C ZINC000159621942 432689823 /nfs/dbraw/zinc/68/98/23/432689823.db2.gz BEBIRGYQQAZBNG-QGZVFWFLSA-N 1 0 304.409 3.172 10 70 DGIERO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000159637573 432689900 /nfs/dbraw/zinc/68/99/00/432689900.db2.gz HZILGMQDWXEQQK-JENIJYKNSA-N 1 0 316.489 3.410 10 70 DGIERO COc1ccc(F)c(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000160914271 432749364 /nfs/dbraw/zinc/74/93/64/432749364.db2.gz SHNHBSCZMHZPFS-UHFFFAOYSA-N 1 0 323.412 3.076 10 70 DGIERO CN(CC[N@@H+]1CCC[C@@H]1c1ccncc1)Cc1ccc(F)cc1 ZINC000161166073 432763574 /nfs/dbraw/zinc/76/35/74/432763574.db2.gz NZULIKZKPQAPEI-LJQANCHMSA-N 1 0 313.420 3.490 10 70 DGIERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)CC(C)C)cc1)[NH+](C)C ZINC000161415857 432778083 /nfs/dbraw/zinc/77/80/83/432778083.db2.gz ZFZPRVDSPHBMAB-INIZCTEOSA-N 1 0 319.449 3.340 10 70 DGIERO Fc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160602375 432729848 /nfs/dbraw/zinc/72/98/48/432729848.db2.gz CJKNMRDINHHEAT-MRXNPFEDSA-N 1 0 314.408 3.481 10 70 DGIERO CCC[NH+]1CCC(CNC(=O)c2ccc(F)c(SC)c2)CC1 ZINC000160437877 292814334 /nfs/dbraw/zinc/81/43/34/292814334.db2.gz YXQIHNSWTWSJRB-UHFFFAOYSA-N 1 0 324.465 3.399 10 70 DGIERO CCC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC)cc1 ZINC000159481507 197356997 /nfs/dbraw/zinc/35/69/97/197356997.db2.gz ZWXMFWKQDAHGIJ-KRWDZBQOSA-N 1 0 304.434 3.139 10 70 DGIERO CSc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1F ZINC000159503914 197358954 /nfs/dbraw/zinc/35/89/54/197358954.db2.gz TWKQQHZIHMNWFA-LBPRGKRZSA-N 1 0 310.438 3.211 10 70 DGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000159683393 432692100 /nfs/dbraw/zinc/69/21/00/432692100.db2.gz VGWSUDNPCHTQLY-GXSJLCMTSA-N 1 0 301.217 3.079 10 70 DGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000159682952 432692314 /nfs/dbraw/zinc/69/23/14/432692314.db2.gz VGWSUDNPCHTQLY-KOLCDFICSA-N 1 0 301.217 3.079 10 70 DGIERO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC(C)=O)CC1 ZINC000159743436 432693320 /nfs/dbraw/zinc/69/33/20/432693320.db2.gz PGZRXZBMOAFTNZ-UHFFFAOYSA-N 1 0 322.474 3.044 10 70 DGIERO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159528286 432686017 /nfs/dbraw/zinc/68/60/17/432686017.db2.gz RFAIUJFSGFCQJX-KRWDZBQOSA-N 1 0 316.445 3.119 10 70 DGIERO C[N@H+](CCN1CCCC[C@@H]1c1cn[nH]c1)Cc1ccc(F)cc1 ZINC000160566979 432728878 /nfs/dbraw/zinc/72/88/78/432728878.db2.gz IIHAWBGTYWWENT-GOSISDBHSA-N 1 0 316.424 3.208 10 70 DGIERO CSc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160710912 432737236 /nfs/dbraw/zinc/73/72/36/432737236.db2.gz TVHVTTCQHHRATG-CRAIPNDOSA-N 1 0 321.486 3.414 10 70 DGIERO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160848615 432745891 /nfs/dbraw/zinc/74/58/91/432745891.db2.gz DHUMUMHTTXBQSS-QFBILLFUSA-N 1 0 302.462 3.306 10 70 DGIERO Cc1cc(F)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000160203740 546059485 /nfs/dbraw/zinc/05/94/85/546059485.db2.gz MZBJSVMGLORUSH-KRWDZBQOSA-N 1 0 318.367 3.306 10 70 DGIERO