smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000159605278 206254316 /nfs/dbraw/zinc/25/43/16/206254316.db2.gz MXCYHHQRIIGLGA-JLSDUUJJSA-N 2 2 327.403 3.059 20 70 EGIDLP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000160495861 206301001 /nfs/dbraw/zinc/30/10/01/206301001.db2.gz KZYLCYFEIYEEDP-QGZVFWFLSA-N 2 2 342.487 3.147 20 70 EGIDLP C[NH+](C)[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000160395042 307889000 /nfs/dbraw/zinc/88/90/00/307889000.db2.gz WUAPXCSCCLQQHL-MRXNPFEDSA-N 2 2 335.458 3.113 20 70 EGIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000160071611 455426502 /nfs/dbraw/zinc/42/65/02/455426502.db2.gz BZNJAZSAQJQJPX-INIZCTEOSA-N 2 2 347.503 3.350 20 70 EGIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000160071611 455426506 /nfs/dbraw/zinc/42/65/06/455426506.db2.gz BZNJAZSAQJQJPX-INIZCTEOSA-N 2 2 347.503 3.350 20 70 EGIDLP C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000160886222 455509721 /nfs/dbraw/zinc/50/97/21/455509721.db2.gz KOMRUEKRMYBQJX-WMZOPIPTSA-N 2 2 346.519 3.051 20 70 EGIDLP C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000160886222 455509725 /nfs/dbraw/zinc/50/97/25/455509725.db2.gz KOMRUEKRMYBQJX-WMZOPIPTSA-N 2 2 346.519 3.051 20 70 EGIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cncs3)cc2)CC1 ZINC000160313590 206289822 /nfs/dbraw/zinc/28/98/22/206289822.db2.gz JZHVVEKEFFIVCQ-INIZCTEOSA-N 2 2 344.528 3.131 20 70 EGIDLP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000160510842 206302021 /nfs/dbraw/zinc/30/20/21/206302021.db2.gz NZCWISDTRMLPIX-BEFAXECRSA-N 2 2 336.907 3.445 20 70 EGIDLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161204106 296618585 /nfs/dbraw/zinc/61/85/85/296618585.db2.gz UFSYKMPPEVQDQE-IBGZPJMESA-N 2 2 330.472 3.099 20 70 EGIDLP Cc1ccccc1OCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000161362749 455562961 /nfs/dbraw/zinc/56/29/61/455562961.db2.gz IXJKEAWIJUZZAF-UHFFFAOYSA-N 2 2 325.456 3.023 20 70 EGIDLP Cc1[nH+]ccn1CCCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000159863116 455410228 /nfs/dbraw/zinc/41/02/28/455410228.db2.gz LALZKARKICWESH-GOSISDBHSA-N 2 2 326.488 3.178 20 70 EGIDLP Cc1[nH+]ccn1CCCN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000159863116 455410233 /nfs/dbraw/zinc/41/02/33/455410233.db2.gz LALZKARKICWESH-GOSISDBHSA-N 2 2 326.488 3.178 20 70 EGIDLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000159863116 455410238 /nfs/dbraw/zinc/41/02/38/455410238.db2.gz LALZKARKICWESH-GOSISDBHSA-N 2 2 326.488 3.178 20 70 EGIDLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000159863116 455410243 /nfs/dbraw/zinc/41/02/43/455410243.db2.gz LALZKARKICWESH-GOSISDBHSA-N 2 2 326.488 3.178 20 70 EGIDLP C[NH+]1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000161460359 455571935 /nfs/dbraw/zinc/57/19/35/455571935.db2.gz ULRKARYPZXHHHU-HNNXBMFYSA-N 2 2 339.277 3.347 20 70 EGIDLP CC(=O)NC1CCC([NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000161384771 277024599 /nfs/dbraw/zinc/02/45/99/277024599.db2.gz UNIJPCNMIYPSST-CBNMVNINSA-N 2 2 343.515 3.169 20 70 EGIDLP Cc1[nH+]ccn1CCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000159862977 455410463 /nfs/dbraw/zinc/41/04/63/455410463.db2.gz LALZKARKICWESH-SFHVURJKSA-N 2 2 326.488 3.178 20 70 EGIDLP Cc1[nH+]ccn1CCCN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000159862977 455410464 /nfs/dbraw/zinc/41/04/64/455410464.db2.gz LALZKARKICWESH-SFHVURJKSA-N 2 2 326.488 3.178 20 70 EGIDLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000159862977 455410466 /nfs/dbraw/zinc/41/04/66/455410466.db2.gz LALZKARKICWESH-SFHVURJKSA-N 2 2 326.488 3.178 20 70 EGIDLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000159862977 455410470 /nfs/dbraw/zinc/41/04/70/455410470.db2.gz LALZKARKICWESH-SFHVURJKSA-N 2 2 326.488 3.178 20 70 EGIDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000160892726 455509757 /nfs/dbraw/zinc/50/97/57/455509757.db2.gz HVQOBIGNIUEZGY-ROUUACIJSA-N 2 2 349.482 3.438 20 70 EGIDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000160892726 455509761 /nfs/dbraw/zinc/50/97/61/455509761.db2.gz HVQOBIGNIUEZGY-ROUUACIJSA-N 2 2 349.482 3.438 20 70 EGIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccco3)cc2)CC1 ZINC000160328520 206290972 /nfs/dbraw/zinc/29/09/72/206290972.db2.gz GGJZMGFKYXGBBW-QGZVFWFLSA-N 2 2 327.472 3.268 20 70 EGIDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000161040129 206325120 /nfs/dbraw/zinc/32/51/20/206325120.db2.gz NJZUVWGRILVFRU-LEWJYISDSA-N 3 2 329.532 3.156 20 70 EGIDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000161064826 206326371 /nfs/dbraw/zinc/32/63/71/206326371.db2.gz BZJKVUJLBYHVPK-LEWJYISDSA-N 3 2 347.522 3.295 20 70 EGIDLP Cc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH+]2CCCC2)cc1 ZINC000161384979 301797529 /nfs/dbraw/zinc/79/75/29/301797529.db2.gz SDKNRZJMEKSRSU-FQEVSTJZSA-N 2 2 344.499 3.407 20 70 EGIDLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1c[nH+]c2ccccn12 ZINC000160574041 455475582 /nfs/dbraw/zinc/47/55/82/455475582.db2.gz CLHDZKCRJXXTPX-SFHVURJKSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1c[nH+]c2ccccn12 ZINC000160574041 455475586 /nfs/dbraw/zinc/47/55/86/455475586.db2.gz CLHDZKCRJXXTPX-SFHVURJKSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000160856519 455505804 /nfs/dbraw/zinc/50/58/04/455505804.db2.gz YXMURSBTMOKDJH-OAHLLOKOSA-N 2 2 343.437 3.123 20 70 EGIDLP C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160856519 455505808 /nfs/dbraw/zinc/50/58/08/455505808.db2.gz YXMURSBTMOKDJH-OAHLLOKOSA-N 2 2 343.437 3.123 20 70 EGIDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000159399095 455374241 /nfs/dbraw/zinc/37/42/41/455374241.db2.gz ZQXDABAOZDBHIS-AWEZNQCLSA-N 2 2 333.501 3.347 20 70 EGIDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000159399095 455374245 /nfs/dbraw/zinc/37/42/45/455374245.db2.gz ZQXDABAOZDBHIS-AWEZNQCLSA-N 2 2 333.501 3.347 20 70 EGIDLP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000160628066 455481976 /nfs/dbraw/zinc/48/19/76/455481976.db2.gz BPRFMLHIXXLNTL-KRWDZBQOSA-N 2 2 342.487 3.147 20 70 EGIDLP Cc1[nH+]ccn1CCCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161328604 455560237 /nfs/dbraw/zinc/56/02/37/455560237.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 2 2 326.488 3.180 20 70 EGIDLP Cc1[nH+]ccn1CCCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000161328604 455560243 /nfs/dbraw/zinc/56/02/43/455560243.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 2 2 326.488 3.180 20 70 EGIDLP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000160627940 455482100 /nfs/dbraw/zinc/48/21/00/455482100.db2.gz BPRFMLHIXXLNTL-QGZVFWFLSA-N 2 2 342.487 3.147 20 70 EGIDLP CCCn1c(C)nnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161363373 455562761 /nfs/dbraw/zinc/56/27/61/455562761.db2.gz LCLNWECZOLHGRD-KRWDZBQOSA-N 2 2 347.551 3.473 20 70 EGIDLP CCCn1c(C)nnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000161363373 455562764 /nfs/dbraw/zinc/56/27/64/455562764.db2.gz LCLNWECZOLHGRD-KRWDZBQOSA-N 2 2 347.551 3.473 20 70 EGIDLP CSC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160289009 455445216 /nfs/dbraw/zinc/44/52/16/455445216.db2.gz MPDUGCWDUNXLJE-QGZVFWFLSA-N 2 2 342.936 3.008 20 70 EGIDLP CC(C)c1cc(N2CCC[C@H]2C[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000160409956 455455727 /nfs/dbraw/zinc/45/57/27/455455727.db2.gz OUWMYBWQIOQVGA-INIZCTEOSA-N 2 2 332.492 3.024 20 70 EGIDLP O=C(NC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161368502 455564129 /nfs/dbraw/zinc/56/41/29/455564129.db2.gz QOPCVMAIDZVXJL-HXUWFJFHSA-N 2 2 343.515 3.147 20 70 EGIDLP O=C(NC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161368502 455564132 /nfs/dbraw/zinc/56/41/32/455564132.db2.gz QOPCVMAIDZVXJL-HXUWFJFHSA-N 2 2 343.515 3.147 20 70 EGIDLP C[NH+](C)[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000160394922 307889166 /nfs/dbraw/zinc/88/91/66/307889166.db2.gz WUAPXCSCCLQQHL-INIZCTEOSA-N 2 2 335.458 3.113 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000160039735 455424416 /nfs/dbraw/zinc/42/44/16/455424416.db2.gz HGOLWVASTXUUPB-APWZRJJASA-N 2 2 338.499 3.328 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000160039735 455424421 /nfs/dbraw/zinc/42/44/21/455424421.db2.gz HGOLWVASTXUUPB-APWZRJJASA-N 2 2 338.499 3.328 20 70 EGIDLP CCCn1c(C)nnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000161363508 455562823 /nfs/dbraw/zinc/56/28/23/455562823.db2.gz LCLNWECZOLHGRD-QGZVFWFLSA-N 2 2 347.551 3.473 20 70 EGIDLP CCCn1c(C)nnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000161363508 455562825 /nfs/dbraw/zinc/56/28/25/455562825.db2.gz LCLNWECZOLHGRD-QGZVFWFLSA-N 2 2 347.551 3.473 20 70 EGIDLP O=C(Oc1ccccc1)N1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161358416 455563350 /nfs/dbraw/zinc/56/33/50/455563350.db2.gz AXCZNUTVGGJLEC-UHFFFAOYSA-N 2 2 345.487 3.069 20 70 EGIDLP O=C(Oc1ccccc1)N1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161358416 455563352 /nfs/dbraw/zinc/56/33/52/455563352.db2.gz AXCZNUTVGGJLEC-UHFFFAOYSA-N 2 2 345.487 3.069 20 70 EGIDLP CC(=O)Nc1ccccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000160471557 455463396 /nfs/dbraw/zinc/46/33/96/455463396.db2.gz AGVIRCFMGMTBAY-UHFFFAOYSA-N 2 2 336.439 3.254 20 70 EGIDLP C[N@@H+](Cc1cnc2ccccn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160890681 455509905 /nfs/dbraw/zinc/50/99/05/455509905.db2.gz PSCKIORIRGQTFU-IBGZPJMESA-N 2 2 334.467 3.288 20 70 EGIDLP C[N@H+](Cc1cnc2ccccn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160890681 455509907 /nfs/dbraw/zinc/50/99/07/455509907.db2.gz PSCKIORIRGQTFU-IBGZPJMESA-N 2 2 334.467 3.288 20 70 EGIDLP C[NH+](Cc1cnc2ccccn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160890681 455509908 /nfs/dbraw/zinc/50/99/08/455509908.db2.gz PSCKIORIRGQTFU-IBGZPJMESA-N 2 2 334.467 3.288 20 70 EGIDLP C[NH+](Cc1cnc2ccccn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160890681 455509910 /nfs/dbraw/zinc/50/99/10/455509910.db2.gz PSCKIORIRGQTFU-IBGZPJMESA-N 2 2 334.467 3.288 20 70 EGIDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000161040422 455525943 /nfs/dbraw/zinc/52/59/43/455525943.db2.gz NJZUVWGRILVFRU-NHCUHLMSSA-N 3 2 329.532 3.156 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160039516 455423752 /nfs/dbraw/zinc/42/37/52/455423752.db2.gz HGOLWVASTXUUPB-LPHOPBHVSA-N 2 2 338.499 3.328 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000160039516 455423755 /nfs/dbraw/zinc/42/37/55/455423755.db2.gz HGOLWVASTXUUPB-LPHOPBHVSA-N 2 2 338.499 3.328 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000160039624 455423855 /nfs/dbraw/zinc/42/38/55/455423855.db2.gz HGOLWVASTXUUPB-VQIMIIECSA-N 2 2 338.499 3.328 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000160039624 455423861 /nfs/dbraw/zinc/42/38/61/455423861.db2.gz HGOLWVASTXUUPB-VQIMIIECSA-N 2 2 338.499 3.328 20 70 EGIDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000160433815 455458030 /nfs/dbraw/zinc/45/80/30/455458030.db2.gz DOSZSLQVRFWSKA-SFHVURJKSA-N 2 2 326.488 3.278 20 70 EGIDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000160433815 455458031 /nfs/dbraw/zinc/45/80/31/455458031.db2.gz DOSZSLQVRFWSKA-SFHVURJKSA-N 2 2 326.488 3.278 20 70 EGIDLP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160453754 455461057 /nfs/dbraw/zinc/46/10/57/455461057.db2.gz RDSZRSVOYCFXSR-KRWDZBQOSA-N 2 2 340.467 3.378 20 70 EGIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000160085819 528349238 /nfs/dbraw/zinc/34/92/38/528349238.db2.gz JCCSWUGDRHAXJG-AWEZNQCLSA-N 2 2 329.448 3.073 20 70 EGIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000160085819 528349243 /nfs/dbraw/zinc/34/92/43/528349243.db2.gz JCCSWUGDRHAXJG-AWEZNQCLSA-N 2 2 329.448 3.073 20 70 EGIDLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161367359 546954941 /nfs/dbraw/zinc/95/49/41/546954941.db2.gz OQTCRANWZOGVGV-CYBMUJFWSA-N 2 2 341.440 3.076 20 70 EGIDLP CCc1noc([C@H](C)[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000160005550 455421578 /nfs/dbraw/zinc/42/15/78/455421578.db2.gz UPEBURIHSLHJJT-HNNXBMFYSA-N 2 2 343.475 3.327 20 70 EGIDLP CCc1noc([C@H](C)[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000160005550 455421584 /nfs/dbraw/zinc/42/15/84/455421584.db2.gz UPEBURIHSLHJJT-HNNXBMFYSA-N 2 2 343.475 3.327 20 70 EGIDLP CCc1nnc([C@@H](C)[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000159991942 455421620 /nfs/dbraw/zinc/42/16/20/455421620.db2.gz HYOJSELVOXLFOY-OAHLLOKOSA-N 2 2 343.475 3.327 20 70 EGIDLP CCc1nnc([C@@H](C)[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000159991942 455421624 /nfs/dbraw/zinc/42/16/24/455421624.db2.gz HYOJSELVOXLFOY-OAHLLOKOSA-N 2 2 343.475 3.327 20 70 EGIDLP Cc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH+]2CCCC2)cc1 ZINC000161384894 455564773 /nfs/dbraw/zinc/56/47/73/455564773.db2.gz SDKNRZJMEKSRSU-HXUWFJFHSA-N 2 2 344.499 3.407 20 70 EGIDLP Fc1cccc(CCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000159816686 455407137 /nfs/dbraw/zinc/40/71/37/455407137.db2.gz VAAYWDSFKXOZOU-UHFFFAOYSA-N 2 2 327.447 3.408 20 70 EGIDLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160892950 455509952 /nfs/dbraw/zinc/50/99/52/455509952.db2.gz HVQOBIGNIUEZGY-ZWKOTPCHSA-N 2 2 349.482 3.438 20 70 EGIDLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160892950 455509956 /nfs/dbraw/zinc/50/99/56/455509956.db2.gz HVQOBIGNIUEZGY-ZWKOTPCHSA-N 2 2 349.482 3.438 20 70 EGIDLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161362862 546954248 /nfs/dbraw/zinc/95/42/48/546954248.db2.gz RMCLTSQYGHKGJX-INIZCTEOSA-N 2 2 349.438 3.323 20 70 EGIDLP C[N@H+](Cc1cnc2ccccn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160403867 455455251 /nfs/dbraw/zinc/45/52/51/455455251.db2.gz GTBQXAAQSBXQAM-UHFFFAOYSA-N 2 2 334.467 3.431 20 70 EGIDLP C[N@@H+](Cc1cnc2ccccn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160403867 455455254 /nfs/dbraw/zinc/45/52/54/455455254.db2.gz GTBQXAAQSBXQAM-UHFFFAOYSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000160409711 455456067 /nfs/dbraw/zinc/45/60/67/455456067.db2.gz PSEHYNSCZZXDER-ZWKOTPCHSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000160409711 455456068 /nfs/dbraw/zinc/45/60/68/455456068.db2.gz PSEHYNSCZZXDER-ZWKOTPCHSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160409711 455456070 /nfs/dbraw/zinc/45/60/70/455456070.db2.gz PSEHYNSCZZXDER-ZWKOTPCHSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160409711 455456071 /nfs/dbraw/zinc/45/60/71/455456071.db2.gz PSEHYNSCZZXDER-ZWKOTPCHSA-N 2 2 326.488 3.421 20 70 EGIDLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161210370 455548348 /nfs/dbraw/zinc/54/83/48/455548348.db2.gz MDGBTVZZDCEUOD-SOAGJPPSSA-N 2 2 331.504 3.106 20 70 EGIDLP C[C@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000160806539 455500909 /nfs/dbraw/zinc/50/09/09/455500909.db2.gz GAZNWNMPIMPHEJ-BBRMVZONSA-N 2 2 335.879 3.274 20 70 EGIDLP C[C@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000160806539 455500914 /nfs/dbraw/zinc/50/09/14/455500914.db2.gz GAZNWNMPIMPHEJ-BBRMVZONSA-N 2 2 335.879 3.274 20 70 EGIDLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161362733 546954828 /nfs/dbraw/zinc/95/48/28/546954828.db2.gz RMCLTSQYGHKGJX-MRXNPFEDSA-N 2 2 349.438 3.323 20 70 EGIDLP CCC[C@@H](C(=O)OCC)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160044867 455424349 /nfs/dbraw/zinc/42/43/49/455424349.db2.gz HXFIZFNGBGJIPU-SFHVURJKSA-N 2 2 347.503 3.352 20 70 EGIDLP CCC[C@@H](C(=O)OCC)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160044867 455424353 /nfs/dbraw/zinc/42/43/53/455424353.db2.gz HXFIZFNGBGJIPU-SFHVURJKSA-N 2 2 347.503 3.352 20 70 EGIDLP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160561685 455474442 /nfs/dbraw/zinc/47/44/42/455474442.db2.gz LFBRAEKTJUDNGN-QFBILLFUSA-N 2 2 336.907 3.445 20 70 EGIDLP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000160495978 455466853 /nfs/dbraw/zinc/46/68/53/455466853.db2.gz KZYLCYFEIYEEDP-KRWDZBQOSA-N 2 2 342.487 3.147 20 70 EGIDLP CCCC[C@H](C(=O)OC)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160071442 455426004 /nfs/dbraw/zinc/42/60/04/455426004.db2.gz JEBKUKHMJGTNGJ-GOSISDBHSA-N 2 2 347.503 3.352 20 70 EGIDLP CCCC[C@H](C(=O)OC)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160071442 455426007 /nfs/dbraw/zinc/42/60/07/455426007.db2.gz JEBKUKHMJGTNGJ-GOSISDBHSA-N 2 2 347.503 3.352 20 70 EGIDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000161065151 455528829 /nfs/dbraw/zinc/52/88/29/455528829.db2.gz BZJKVUJLBYHVPK-RTWAWAEBSA-N 3 2 347.522 3.295 20 70 EGIDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161490895 455574919 /nfs/dbraw/zinc/57/49/19/455574919.db2.gz VMNDAQGQSNBNRH-INIZCTEOSA-N 2 2 332.488 3.391 20 70 EGIDLP C[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000161460248 455572086 /nfs/dbraw/zinc/57/20/86/455572086.db2.gz ULRKARYPZXHHHU-OAHLLOKOSA-N 2 2 339.277 3.347 20 70 EGIDLP CC(=O)NC1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000161490767 455574768 /nfs/dbraw/zinc/57/47/68/455574768.db2.gz VVGUTHHOVBLLLS-VNCLNFNDSA-N 2 2 331.504 3.153 20 70 EGIDLP Fc1ccc(-c2cnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161357070 546954861 /nfs/dbraw/zinc/95/48/61/546954861.db2.gz ALRGQRMXWRLLNR-UHFFFAOYSA-N 2 2 338.386 3.198 20 70 EGIDLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161367247 546955038 /nfs/dbraw/zinc/95/50/38/546955038.db2.gz OQTCRANWZOGVGV-ZDUSSCGKSA-N 2 2 341.440 3.076 20 70 EGIDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000160433894 455457922 /nfs/dbraw/zinc/45/79/22/455457922.db2.gz DOSZSLQVRFWSKA-GOSISDBHSA-N 2 2 326.488 3.278 20 70 EGIDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000160433894 455457924 /nfs/dbraw/zinc/45/79/24/455457924.db2.gz DOSZSLQVRFWSKA-GOSISDBHSA-N 2 2 326.488 3.278 20 70 EGIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nnc(C)o1 ZINC000160085950 528349409 /nfs/dbraw/zinc/34/94/09/528349409.db2.gz JCCSWUGDRHAXJG-CQSZACIVSA-N 2 2 329.448 3.073 20 70 EGIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nnc(C)o1 ZINC000160085950 528349415 /nfs/dbraw/zinc/34/94/15/528349415.db2.gz JCCSWUGDRHAXJG-CQSZACIVSA-N 2 2 329.448 3.073 20 70 EGIDLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161204016 455547820 /nfs/dbraw/zinc/54/78/20/455547820.db2.gz UFSYKMPPEVQDQE-LJQANCHMSA-N 2 2 330.472 3.099 20 70 EGIDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000159398974 225210487 /nfs/dbraw/zinc/21/04/87/225210487.db2.gz ZQXDABAOZDBHIS-CQSZACIVSA-N 2 2 333.501 3.347 20 70 EGIDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000159398974 225210490 /nfs/dbraw/zinc/21/04/90/225210490.db2.gz ZQXDABAOZDBHIS-CQSZACIVSA-N 2 2 333.501 3.347 20 70 EGIDLP C[C@H]1CCN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000160893970 455509782 /nfs/dbraw/zinc/50/97/82/455509782.db2.gz SARFUSZEHSFVEF-SFHVURJKSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@H]1CCN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000160893970 455509787 /nfs/dbraw/zinc/50/97/87/455509787.db2.gz SARFUSZEHSFVEF-SFHVURJKSA-N 2 2 334.467 3.431 20 70 EGIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000161205477 276157742 /nfs/dbraw/zinc/15/77/42/276157742.db2.gz BYVJNQCYYUGEDH-BQIYRTECSA-N 2 2 341.499 3.283 20 70 EGIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000161205477 276157743 /nfs/dbraw/zinc/15/77/43/276157743.db2.gz BYVJNQCYYUGEDH-BQIYRTECSA-N 2 2 341.499 3.283 20 70 EGIDLP CCn1nccc1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159925598 455415788 /nfs/dbraw/zinc/41/57/88/455415788.db2.gz WZSKUSXZJNMWAO-FQEVSTJZSA-N 2 2 326.488 3.076 20 70 EGIDLP CCn1nccc1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159925598 455415790 /nfs/dbraw/zinc/41/57/90/455415790.db2.gz WZSKUSXZJNMWAO-FQEVSTJZSA-N 2 2 326.488 3.076 20 70 EGIDLP CCc1noc([C@@H](C)[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000160005435 455421084 /nfs/dbraw/zinc/42/10/84/455421084.db2.gz UPEBURIHSLHJJT-OAHLLOKOSA-N 2 2 343.475 3.327 20 70 EGIDLP CCc1noc([C@@H](C)[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000160005435 455421085 /nfs/dbraw/zinc/42/10/85/455421085.db2.gz UPEBURIHSLHJJT-OAHLLOKOSA-N 2 2 343.475 3.327 20 70 EGIDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000160280965 455444122 /nfs/dbraw/zinc/44/41/22/455444122.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000160280965 455444124 /nfs/dbraw/zinc/44/41/24/455444124.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000160280965 455444126 /nfs/dbraw/zinc/44/41/26/455444126.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000160280965 455444127 /nfs/dbraw/zinc/44/41/27/455444127.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 3 2 344.547 3.146 20 70 EGIDLP C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160890844 455509936 /nfs/dbraw/zinc/50/99/36/455509936.db2.gz PSCKIORIRGQTFU-LJQANCHMSA-N 2 2 334.467 3.288 20 70 EGIDLP C[N@H+](Cc1cnc2ccccn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160890844 455509940 /nfs/dbraw/zinc/50/99/40/455509940.db2.gz PSCKIORIRGQTFU-LJQANCHMSA-N 2 2 334.467 3.288 20 70 EGIDLP C[NH+](Cc1cnc2ccccn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160890844 455509942 /nfs/dbraw/zinc/50/99/42/455509942.db2.gz PSCKIORIRGQTFU-LJQANCHMSA-N 2 2 334.467 3.288 20 70 EGIDLP C[NH+](Cc1cnc2ccccn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160890844 455509944 /nfs/dbraw/zinc/50/99/44/455509944.db2.gz PSCKIORIRGQTFU-LJQANCHMSA-N 2 2 334.467 3.288 20 70 EGIDLP CCC[C@H](C(=O)OCC)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160044996 455423916 /nfs/dbraw/zinc/42/39/16/455423916.db2.gz HXFIZFNGBGJIPU-GOSISDBHSA-N 2 2 347.503 3.352 20 70 EGIDLP CCC[C@H](C(=O)OCC)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160044996 455423919 /nfs/dbraw/zinc/42/39/19/455423919.db2.gz HXFIZFNGBGJIPU-GOSISDBHSA-N 2 2 347.503 3.352 20 70 EGIDLP CSC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160289141 455445273 /nfs/dbraw/zinc/44/52/73/455445273.db2.gz MPDUGCWDUNXLJE-KRWDZBQOSA-N 2 2 342.936 3.008 20 70 EGIDLP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1c[nH+]c2ccccn12 ZINC000161442114 455571662 /nfs/dbraw/zinc/57/16/62/455571662.db2.gz SYYMNNGWHQMQCV-UHFFFAOYSA-N 2 2 342.409 3.431 20 70 EGIDLP Fc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000159604996 206254438 /nfs/dbraw/zinc/25/44/38/206254438.db2.gz MXCYHHQRIIGLGA-WBAXXEDZSA-N 2 2 327.403 3.059 20 70 EGIDLP Fc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000159604848 206254631 /nfs/dbraw/zinc/25/46/31/206254631.db2.gz MXCYHHQRIIGLGA-QGTPRVQTSA-N 2 2 327.403 3.059 20 70 EGIDLP Cc1c(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000159644396 206256454 /nfs/dbraw/zinc/25/64/54/206256454.db2.gz JOOUTHAAIHZXEU-UHFFFAOYSA-N 2 2 332.879 3.136 20 70 EGIDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000161040279 206325664 /nfs/dbraw/zinc/32/56/64/206325664.db2.gz NJZUVWGRILVFRU-SFTDATJTSA-N 3 2 329.532 3.156 20 70 EGIDLP C[C@@H]1CCN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000160893839 455509285 /nfs/dbraw/zinc/50/92/85/455509285.db2.gz SARFUSZEHSFVEF-GOSISDBHSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@@H]1CCN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000160893839 455509287 /nfs/dbraw/zinc/50/92/87/455509287.db2.gz SARFUSZEHSFVEF-GOSISDBHSA-N 2 2 334.467 3.431 20 70 EGIDLP c1[nH+]c2ccccn2c1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000159526812 546939396 /nfs/dbraw/zinc/93/93/96/546939396.db2.gz AQIBCLXNWFEOMY-UHFFFAOYSA-N 2 2 348.494 3.475 20 70 EGIDLP c1[nH+]c2ccccn2c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000159526812 546939400 /nfs/dbraw/zinc/93/94/00/546939400.db2.gz AQIBCLXNWFEOMY-UHFFFAOYSA-N 2 2 348.494 3.475 20 70 EGIDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218118300 241299893 /nfs/dbraw/zinc/29/98/93/241299893.db2.gz MRDIOZFFXAGFQQ-GJZGRUSLSA-N 2 2 339.277 3.174 20 70 EGIDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000218118300 241299898 /nfs/dbraw/zinc/29/98/98/241299898.db2.gz MRDIOZFFXAGFQQ-GJZGRUSLSA-N 2 2 339.277 3.174 20 70 EGIDLP CCOc1cc(C[N@H+](C)CCn2cc[nH+]c2)ccc1OC(F)F ZINC000159742073 206260419 /nfs/dbraw/zinc/26/04/19/206260419.db2.gz CNTBKUXLTYMBDV-UHFFFAOYSA-N 2 2 325.359 3.015 20 70 EGIDLP CCOc1cc(C[N@@H+](C)CCn2cc[nH+]c2)ccc1OC(F)F ZINC000159742073 206260425 /nfs/dbraw/zinc/26/04/25/206260425.db2.gz CNTBKUXLTYMBDV-UHFFFAOYSA-N 2 2 325.359 3.015 20 70 EGIDLP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000161385983 455564734 /nfs/dbraw/zinc/56/47/34/455564734.db2.gz JJYOUORKYHCDCH-NRFANRHFSA-N 3 2 329.532 3.316 20 70 EGIDLP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000161385983 455564739 /nfs/dbraw/zinc/56/47/39/455564739.db2.gz JJYOUORKYHCDCH-NRFANRHFSA-N 3 2 329.532 3.316 20 70 EGIDLP C[NH+](CCC[NH+]1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161385983 455564742 /nfs/dbraw/zinc/56/47/42/455564742.db2.gz JJYOUORKYHCDCH-NRFANRHFSA-N 3 2 329.532 3.316 20 70 EGIDLP C[NH+](CCC[NH+]1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161385983 455564745 /nfs/dbraw/zinc/56/47/45/455564745.db2.gz JJYOUORKYHCDCH-NRFANRHFSA-N 3 2 329.532 3.316 20 70 EGIDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218118195 536897687 /nfs/dbraw/zinc/89/76/87/536897687.db2.gz MRDIOZFFXAGFQQ-CABCVRRESA-N 2 2 339.277 3.174 20 70 EGIDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000218118195 536897690 /nfs/dbraw/zinc/89/76/90/536897690.db2.gz MRDIOZFFXAGFQQ-CABCVRRESA-N 2 2 339.277 3.174 20 70 EGIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cncs3)cc2)CC1 ZINC000160313729 206290513 /nfs/dbraw/zinc/29/05/13/206290513.db2.gz JZHVVEKEFFIVCQ-MRXNPFEDSA-N 2 2 344.528 3.131 20 70 EGIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000161205584 276161050 /nfs/dbraw/zinc/16/10/50/276161050.db2.gz BYVJNQCYYUGEDH-BATSVXPKSA-N 2 2 341.499 3.283 20 70 EGIDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000161205584 276161051 /nfs/dbraw/zinc/16/10/51/276161051.db2.gz BYVJNQCYYUGEDH-BATSVXPKSA-N 2 2 341.499 3.283 20 70 EGIDLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000160892842 455509069 /nfs/dbraw/zinc/50/90/69/455509069.db2.gz HVQOBIGNIUEZGY-MSOLQXFVSA-N 2 2 349.482 3.438 20 70 EGIDLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000160892842 455509072 /nfs/dbraw/zinc/50/90/72/455509072.db2.gz HVQOBIGNIUEZGY-MSOLQXFVSA-N 2 2 349.482 3.438 20 70 EGIDLP CCC[N@H+](CCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1OC ZINC000161220758 455549772 /nfs/dbraw/zinc/54/97/72/455549772.db2.gz JPCJDCPAKSEKOV-UHFFFAOYSA-N 2 2 347.503 3.222 20 70 EGIDLP CCC[N@@H+](CCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1OC ZINC000161220758 455549775 /nfs/dbraw/zinc/54/97/75/455549775.db2.gz JPCJDCPAKSEKOV-UHFFFAOYSA-N 2 2 347.503 3.222 20 70 EGIDLP O=C(NC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161368382 455563766 /nfs/dbraw/zinc/56/37/66/455563766.db2.gz QOPCVMAIDZVXJL-FQEVSTJZSA-N 2 2 343.515 3.147 20 70 EGIDLP O=C(NC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161368382 455563768 /nfs/dbraw/zinc/56/37/68/455563768.db2.gz QOPCVMAIDZVXJL-FQEVSTJZSA-N 2 2 343.515 3.147 20 70 EGIDLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161020205 455524051 /nfs/dbraw/zinc/52/40/51/455524051.db2.gz VPHYKGWXLQUIPJ-IAGOWNOFSA-N 2 2 347.507 3.157 20 70 EGIDLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161020205 455524054 /nfs/dbraw/zinc/52/40/54/455524054.db2.gz VPHYKGWXLQUIPJ-IAGOWNOFSA-N 2 2 347.507 3.157 20 70 EGIDLP CC[NH+](CC)CCOc1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161118122 455536002 /nfs/dbraw/zinc/53/60/02/455536002.db2.gz XCOVUVWXXLIFSY-UHFFFAOYSA-N 2 2 347.503 3.266 20 70 EGIDLP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000161274172 279164662 /nfs/dbraw/zinc/16/46/62/279164662.db2.gz TXSACRJCWOJDHR-FQEVSTJZSA-N 2 2 346.515 3.215 20 70 EGIDLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161210255 455548319 /nfs/dbraw/zinc/54/83/19/455548319.db2.gz MDGBTVZZDCEUOD-MHJFOBGBSA-N 2 2 331.504 3.106 20 70 EGIDLP C[C@@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000160806449 455500576 /nfs/dbraw/zinc/50/05/76/455500576.db2.gz GAZNWNMPIMPHEJ-CJNGLKHVSA-N 2 2 335.879 3.274 20 70 EGIDLP C[C@@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000160806449 455500578 /nfs/dbraw/zinc/50/05/78/455500578.db2.gz GAZNWNMPIMPHEJ-CJNGLKHVSA-N 2 2 335.879 3.274 20 70 EGIDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000161065026 455528529 /nfs/dbraw/zinc/52/85/29/455528529.db2.gz BZJKVUJLBYHVPK-NHCUHLMSSA-N 3 2 347.522 3.295 20 70 EGIDLP CCc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH+](C)C)cc1 ZINC000161209864 455548770 /nfs/dbraw/zinc/54/87/70/455548770.db2.gz XFBIRTQKBPSHPD-IBGZPJMESA-N 2 2 332.488 3.127 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160039419 455423891 /nfs/dbraw/zinc/42/38/91/455423891.db2.gz HGOLWVASTXUUPB-QFBILLFUSA-N 2 2 338.499 3.328 20 70 EGIDLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000160039419 455423894 /nfs/dbraw/zinc/42/38/94/455423894.db2.gz HGOLWVASTXUUPB-QFBILLFUSA-N 2 2 338.499 3.328 20 70 EGIDLP CN(Cc1c[nH+]c2ccccn12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160922717 455514031 /nfs/dbraw/zinc/51/40/31/455514031.db2.gz LPZKAOBYUMTJQF-LJQANCHMSA-N 2 2 334.467 3.431 20 70 EGIDLP CN(Cc1c[nH+]c2ccccn12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160922717 455514033 /nfs/dbraw/zinc/51/40/33/455514033.db2.gz LPZKAOBYUMTJQF-LJQANCHMSA-N 2 2 334.467 3.431 20 70 EGIDLP CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000159376154 529999729 /nfs/dbraw/zinc/99/97/29/529999729.db2.gz LQWQBZGHALGBGR-UHFFFAOYSA-N 2 2 349.482 3.268 20 70 EGIDLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160453873 455461280 /nfs/dbraw/zinc/46/12/80/455461280.db2.gz RDSZRSVOYCFXSR-QGZVFWFLSA-N 2 2 340.467 3.378 20 70 EGIDLP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161136979 307898920 /nfs/dbraw/zinc/89/89/20/307898920.db2.gz VLRGDCHKSUVQOA-OAHLLOKOSA-N 2 2 335.407 3.494 20 70 EGIDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccnc1Cl ZINC000160448685 533459583 /nfs/dbraw/zinc/45/95/83/533459583.db2.gz YOMHEXXCPAPKBS-OAHLLOKOSA-N 2 2 345.874 3.418 20 70 EGIDLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161083043 455530800 /nfs/dbraw/zinc/53/08/00/455530800.db2.gz CVJCQYRYCBBINH-SKDZVZGDSA-N 2 2 345.466 3.238 20 70 EGIDLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000161200958 455547894 /nfs/dbraw/zinc/54/78/94/455547894.db2.gz DJXFNIIQGNBJRY-QGZVFWFLSA-N 2 2 325.456 3.256 20 70 EGIDLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000161200958 455547899 /nfs/dbraw/zinc/54/78/99/455547899.db2.gz DJXFNIIQGNBJRY-QGZVFWFLSA-N 2 2 325.456 3.256 20 70 EGIDLP CCc1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000161357623 546954686 /nfs/dbraw/zinc/95/46/86/546954686.db2.gz KQXHRIDMQIINQN-UHFFFAOYSA-N 2 2 349.438 3.016 20 70 EGIDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000161064925 455528920 /nfs/dbraw/zinc/52/89/20/455528920.db2.gz BZJKVUJLBYHVPK-SFTDATJTSA-N 3 2 347.522 3.295 20 70 EGIDLP CC(C)(C[NH2+]C1CCC2(CC1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000161372221 455563805 /nfs/dbraw/zinc/56/38/05/455563805.db2.gz IQJQTRGVVMWHHZ-UHFFFAOYSA-N 2 2 344.499 3.099 20 70 EGIDLP CC(C)(C[NH2+]C1CCC2(CC1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000161372221 455563810 /nfs/dbraw/zinc/56/38/10/455563810.db2.gz IQJQTRGVVMWHHZ-UHFFFAOYSA-N 2 2 344.499 3.099 20 70 EGIDLP CCn1nccc1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159925741 455415905 /nfs/dbraw/zinc/41/59/05/455415905.db2.gz WZSKUSXZJNMWAO-HXUWFJFHSA-N 2 2 326.488 3.076 20 70 EGIDLP CCn1nccc1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159925741 455415911 /nfs/dbraw/zinc/41/59/11/455415911.db2.gz WZSKUSXZJNMWAO-HXUWFJFHSA-N 2 2 326.488 3.076 20 70 EGIDLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444063 /nfs/dbraw/zinc/44/40/63/455444063.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444065 /nfs/dbraw/zinc/44/40/65/455444065.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444066 /nfs/dbraw/zinc/44/40/66/455444066.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444068 /nfs/dbraw/zinc/44/40/68/455444068.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 3 2 344.547 3.146 20 70 EGIDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000160409610 455455805 /nfs/dbraw/zinc/45/58/05/455455805.db2.gz PSEHYNSCZZXDER-QZTJIDSGSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000160409610 455455810 /nfs/dbraw/zinc/45/58/10/455455810.db2.gz PSEHYNSCZZXDER-QZTJIDSGSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160409610 455455815 /nfs/dbraw/zinc/45/58/15/455455815.db2.gz PSEHYNSCZZXDER-QZTJIDSGSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160409610 455455819 /nfs/dbraw/zinc/45/58/19/455455819.db2.gz PSEHYNSCZZXDER-QZTJIDSGSA-N 2 2 326.488 3.421 20 70 EGIDLP C[C@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000160806816 455501119 /nfs/dbraw/zinc/50/11/19/455501119.db2.gz GAZNWNMPIMPHEJ-XJKSGUPXSA-N 2 2 335.879 3.274 20 70 EGIDLP C[C@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000160806816 455501122 /nfs/dbraw/zinc/50/11/22/455501122.db2.gz GAZNWNMPIMPHEJ-XJKSGUPXSA-N 2 2 335.879 3.274 20 70 EGIDLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000161287427 455555398 /nfs/dbraw/zinc/55/53/98/455555398.db2.gz POUIRPPQTRYMSU-UHFFFAOYSA-N 2 2 327.447 3.326 20 70 EGIDLP Fc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000159605153 534440983 /nfs/dbraw/zinc/44/09/83/534440983.db2.gz MXCYHHQRIIGLGA-OLMNPRSZSA-N 2 2 327.403 3.059 20 70 EGIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000160071757 455425867 /nfs/dbraw/zinc/42/58/67/455425867.db2.gz BZNJAZSAQJQJPX-MRXNPFEDSA-N 2 2 347.503 3.350 20 70 EGIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000160071757 455425871 /nfs/dbraw/zinc/42/58/71/455425871.db2.gz BZNJAZSAQJQJPX-MRXNPFEDSA-N 2 2 347.503 3.350 20 70 EGIDLP Cn1cc(Br)cc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161410261 455568035 /nfs/dbraw/zinc/56/80/35/455568035.db2.gz VVZAHVXWDUVZKD-UHFFFAOYSA-N 2 2 328.298 3.095 20 70 EGIDLP Cn1cc(Br)cc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161410261 455568040 /nfs/dbraw/zinc/56/80/40/455568040.db2.gz VVZAHVXWDUVZKD-UHFFFAOYSA-N 2 2 328.298 3.095 20 70 EGIDLP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000160806667 455500748 /nfs/dbraw/zinc/50/07/48/455500748.db2.gz GAZNWNMPIMPHEJ-CZUORRHYSA-N 2 2 335.879 3.274 20 70 EGIDLP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000160806667 455500750 /nfs/dbraw/zinc/50/07/50/455500750.db2.gz GAZNWNMPIMPHEJ-CZUORRHYSA-N 2 2 335.879 3.274 20 70 EGIDLP CC[NH2+]CC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000161006413 455522931 /nfs/dbraw/zinc/52/29/31/455522931.db2.gz DCKUMFKSCWYDMO-UHFFFAOYSA-N 2 2 339.439 3.336 20 70 EGIDLP CC(C)c1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000160409831 455456392 /nfs/dbraw/zinc/45/63/92/455456392.db2.gz OUWMYBWQIOQVGA-MRXNPFEDSA-N 2 2 332.492 3.024 20 70 EGIDLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161020348 455524114 /nfs/dbraw/zinc/52/41/14/455524114.db2.gz VPHYKGWXLQUIPJ-DLBZAZTESA-N 2 2 347.507 3.157 20 70 EGIDLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161020348 455524117 /nfs/dbraw/zinc/52/41/17/455524117.db2.gz VPHYKGWXLQUIPJ-DLBZAZTESA-N 2 2 347.507 3.157 20 70 EGIDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000161040532 455527119 /nfs/dbraw/zinc/52/71/19/455527119.db2.gz NJZUVWGRILVFRU-RTWAWAEBSA-N 3 2 329.532 3.156 20 70 EGIDLP C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000161386112 455564552 /nfs/dbraw/zinc/56/45/52/455564552.db2.gz JJYOUORKYHCDCH-OAQYLSRUSA-N 3 2 329.532 3.316 20 70 EGIDLP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000161386112 455564559 /nfs/dbraw/zinc/56/45/59/455564559.db2.gz JJYOUORKYHCDCH-OAQYLSRUSA-N 3 2 329.532 3.316 20 70 EGIDLP C[NH+](CCC[NH+]1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161386112 455564564 /nfs/dbraw/zinc/56/45/64/455564564.db2.gz JJYOUORKYHCDCH-OAQYLSRUSA-N 3 2 329.532 3.316 20 70 EGIDLP C[NH+](CCC[NH+]1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161386112 455564568 /nfs/dbraw/zinc/56/45/68/455564568.db2.gz JJYOUORKYHCDCH-OAQYLSRUSA-N 3 2 329.532 3.316 20 70 EGIDLP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000160510977 455467500 /nfs/dbraw/zinc/46/75/00/455467500.db2.gz NZCWISDTRMLPIX-HNAYVOBHSA-N 2 2 336.907 3.445 20 70 EGIDLP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161083169 455530588 /nfs/dbraw/zinc/53/05/88/455530588.db2.gz CVJCQYRYCBBINH-OWQGQXMQSA-N 2 2 345.466 3.238 20 70 EGIDLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000161201058 455547996 /nfs/dbraw/zinc/54/79/96/455547996.db2.gz DJXFNIIQGNBJRY-KRWDZBQOSA-N 2 2 325.456 3.256 20 70 EGIDLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000161201058 455547999 /nfs/dbraw/zinc/54/79/99/455547999.db2.gz DJXFNIIQGNBJRY-KRWDZBQOSA-N 2 2 325.456 3.256 20 70 EGIDLP Fc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161316967 455558117 /nfs/dbraw/zinc/55/81/17/455558117.db2.gz IREOMZNBYAIYOE-UHFFFAOYSA-N 2 2 348.462 3.065 20 70 EGIDLP CCCC[C@@H](C(=O)OC)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160071300 455425959 /nfs/dbraw/zinc/42/59/59/455425959.db2.gz JEBKUKHMJGTNGJ-SFHVURJKSA-N 2 2 347.503 3.352 20 70 EGIDLP CCCC[C@@H](C(=O)OC)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160071300 455425962 /nfs/dbraw/zinc/42/59/62/455425962.db2.gz JEBKUKHMJGTNGJ-SFHVURJKSA-N 2 2 347.503 3.352 20 70 EGIDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1c[nH+]c2ccccn12 ZINC000160573921 455475563 /nfs/dbraw/zinc/47/55/63/455475563.db2.gz CLHDZKCRJXXTPX-GOSISDBHSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1c[nH+]c2ccccn12 ZINC000160573921 455475564 /nfs/dbraw/zinc/47/55/64/455475564.db2.gz CLHDZKCRJXXTPX-GOSISDBHSA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccnc1Cl ZINC000160448561 278266845 /nfs/dbraw/zinc/26/68/45/278266845.db2.gz YOMHEXXCPAPKBS-HNNXBMFYSA-N 2 2 345.874 3.418 20 70 EGIDLP CCc1nnc([C@H](C)[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000159992011 455420962 /nfs/dbraw/zinc/42/09/62/455420962.db2.gz HYOJSELVOXLFOY-HNNXBMFYSA-N 2 2 343.475 3.327 20 70 EGIDLP CCc1nnc([C@H](C)[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000159992011 455420968 /nfs/dbraw/zinc/42/09/68/455420968.db2.gz HYOJSELVOXLFOY-HNNXBMFYSA-N 2 2 343.475 3.327 20 70 EGIDLP CCc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH+](C)C)cc1 ZINC000161209730 455548742 /nfs/dbraw/zinc/54/87/42/455548742.db2.gz XFBIRTQKBPSHPD-LJQANCHMSA-N 2 2 332.488 3.127 20 70 EGIDLP CC(=O)NC1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000161490646 455574608 /nfs/dbraw/zinc/57/46/08/455574608.db2.gz VVGUTHHOVBLLLS-MNNVXMFVSA-N 2 2 331.504 3.153 20 70 EGIDLP c1ccc(SCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000160525881 455469989 /nfs/dbraw/zinc/46/99/89/455469989.db2.gz KDTYAXCYPUFDFT-UHFFFAOYSA-N 2 2 327.497 3.428 20 70 EGIDLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000161274301 455555111 /nfs/dbraw/zinc/55/51/11/455555111.db2.gz TXSACRJCWOJDHR-HXUWFJFHSA-N 2 2 346.515 3.215 20 70 EGIDLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161082801 533949143 /nfs/dbraw/zinc/94/91/43/533949143.db2.gz CVJCQYRYCBBINH-QBIMZIAESA-N 2 2 345.466 3.238 20 70 EGIDLP CC(=O)NC1CCC([NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000161384690 455565224 /nfs/dbraw/zinc/56/52/24/455565224.db2.gz UNIJPCNMIYPSST-XVAXZDLZSA-N 2 2 343.515 3.169 20 70 EGIDLP C[N@H+](CCn1cc[nH+]c1)CC1(c2ccc(Br)cc2)CC1 ZINC000159845953 455409577 /nfs/dbraw/zinc/40/95/77/455409577.db2.gz RHBSXMQUEBUWAV-UHFFFAOYSA-N 2 2 334.261 3.309 20 70 EGIDLP C[N@@H+](CCn1cc[nH+]c1)CC1(c2ccc(Br)cc2)CC1 ZINC000159845953 455409579 /nfs/dbraw/zinc/40/95/79/455409579.db2.gz RHBSXMQUEBUWAV-UHFFFAOYSA-N 2 2 334.261 3.309 20 70 EGIDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161491027 455574910 /nfs/dbraw/zinc/57/49/10/455574910.db2.gz VMNDAQGQSNBNRH-MRXNPFEDSA-N 2 2 332.488 3.391 20 70 EGIDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccco3)cc2)CC1 ZINC000160328401 529149015 /nfs/dbraw/zinc/14/90/15/529149015.db2.gz GGJZMGFKYXGBBW-KRWDZBQOSA-N 2 2 327.472 3.268 20 70 EGIDLP c1csc(-c2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)no2)c1 ZINC000161356809 546954288 /nfs/dbraw/zinc/95/42/88/546954288.db2.gz SUHRNEGBAHSAME-UHFFFAOYSA-N 2 2 326.425 3.120 20 70 EGIDLP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160561542 455474736 /nfs/dbraw/zinc/47/47/36/455474736.db2.gz LFBRAEKTJUDNGN-APWZRJJASA-N 2 2 336.907 3.445 20 70 EGIDLP C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000160856388 455505439 /nfs/dbraw/zinc/50/54/39/455505439.db2.gz YXMURSBTMOKDJH-HNNXBMFYSA-N 2 2 343.437 3.123 20 70 EGIDLP C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160856388 455505441 /nfs/dbraw/zinc/50/54/41/455505441.db2.gz YXMURSBTMOKDJH-HNNXBMFYSA-N 2 2 343.437 3.123 20 70 EGIDLP CN(Cc1c[nH+]c2ccccn12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160922843 455513965 /nfs/dbraw/zinc/51/39/65/455513965.db2.gz LPZKAOBYUMTJQF-IBGZPJMESA-N 2 2 334.467 3.431 20 70 EGIDLP CN(Cc1c[nH+]c2ccccn12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160922843 455513968 /nfs/dbraw/zinc/51/39/68/455513968.db2.gz LPZKAOBYUMTJQF-IBGZPJMESA-N 2 2 334.467 3.431 20 70 EGIDLP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161136860 455538445 /nfs/dbraw/zinc/53/84/45/455538445.db2.gz VLRGDCHKSUVQOA-HNNXBMFYSA-N 2 2 335.407 3.494 20 70 EGIDLP CCn1nccc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159908797 546943035 /nfs/dbraw/zinc/94/30/35/546943035.db2.gz FWQCVEDBJGVWBC-UHFFFAOYSA-N 2 2 332.879 3.311 20 70 EGIDLP CC[N@@H+](Cc1cnc2ccccn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160889857 455509171 /nfs/dbraw/zinc/50/91/71/455509171.db2.gz HMMJZCOJJSCIAW-UHFFFAOYSA-N 2 2 349.482 3.468 20 70 EGIDLP CC[N@H+](Cc1cnc2ccccn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160889857 455509175 /nfs/dbraw/zinc/50/91/75/455509175.db2.gz HMMJZCOJJSCIAW-UHFFFAOYSA-N 2 2 349.482 3.468 20 70 EGIDLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000160893053 455509348 /nfs/dbraw/zinc/50/93/48/455509348.db2.gz HVQOBIGNIUEZGY-QZTJIDSGSA-N 2 2 349.482 3.438 20 70 EGIDLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000160893053 455509351 /nfs/dbraw/zinc/50/93/51/455509351.db2.gz HVQOBIGNIUEZGY-QZTJIDSGSA-N 2 2 349.482 3.438 20 70 EGIDLP C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000160886093 455509377 /nfs/dbraw/zinc/50/93/77/455509377.db2.gz KOMRUEKRMYBQJX-AEFFLSMTSA-N 2 2 346.519 3.051 20 70 EGIDLP C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000160886093 455509381 /nfs/dbraw/zinc/50/93/81/455509381.db2.gz KOMRUEKRMYBQJX-AEFFLSMTSA-N 2 2 346.519 3.051 20 70 EGIDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217188833 287272261 /nfs/dbraw/zinc/27/22/61/287272261.db2.gz KQEFONSPMPHPQJ-FUMNGEBKSA-N 2 2 349.563 3.362 20 70 EGIDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217188833 287272266 /nfs/dbraw/zinc/27/22/66/287272266.db2.gz KQEFONSPMPHPQJ-FUMNGEBKSA-N 2 2 349.563 3.362 20 70 EGIDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217188833 287272268 /nfs/dbraw/zinc/27/22/68/287272268.db2.gz KQEFONSPMPHPQJ-FUMNGEBKSA-N 2 2 349.563 3.362 20 70 EGIDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217188833 287272273 /nfs/dbraw/zinc/27/22/73/287272273.db2.gz KQEFONSPMPHPQJ-FUMNGEBKSA-N 2 2 349.563 3.362 20 70 EGIDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161082903 455531053 /nfs/dbraw/zinc/53/10/53/455531053.db2.gz CVJCQYRYCBBINH-XCRHUMRWSA-N 2 2 345.466 3.238 20 70 EGIDLP COc1ccc(C(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160407770 455456052 /nfs/dbraw/zinc/45/60/52/455456052.db2.gz IXEBCUFYHQWFFM-UHFFFAOYSA-N 2 2 344.499 3.466 20 70 EGIDLP